SCHEMBL18133835

SCHEMBL18133835

CC(C)(C)c1c(Cl)ccc2[nH]ncc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 5/20 0.50
▸ IDO1 P14902 1/20 0.40
▸ AXL P30530 2/20 0.39
▸ DHPS P49366 1/20 0.37
▸ BRAF P15056 1/20 0.36
▸ METAP2 P50579 2/20 0.35
▸ TRPA1 O75762 3/20 0.35
▸ AURKA O14965 3/20 0.34
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ GRK2 P25098 2/20 0.34
▸ CDK3 Q00526 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17030759 0.80 IDO1 (0.41) NOS1IDO1AXLDHPSMETAP2
SCHEMBL17030763 0.79 AXL (0.42) NOS1IDO1AXLDHPSMETAP2
SCHEMBL27426346 0.76 TRPA1 (0.39) NOS1IDO1AXLDHPSTRPA1
SCHEMBL22967876 0.76 AXL (0.56) NOS1IDO1AXLMETAP2TRPA1
SCHEMBL17030771 0.76 BRD4 (0.44) NOS1IDO1AXLBRAFMETAP2
SCHEMBL18135157 0.76 NOS1 (0.55) NOS1IDO1AXLBRAFMETAP2
SCHEMBL14804208 0.75 NOS1 (0.46) NOS1IDO1AXLDHPSMETAP2
SCHEMBL21259516 0.75 NOS1 (0.39) NOS1IDO1AXLMETAP2TRPA1
SCHEMBL24782269 0.74 IDO1 (0.41) NOS1IDO1BRAFMETAP2DYRK1A
SCHEMBL23178973 0.73 CDK2 (0.42) NOS1IDO1AXLCDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — US disclosed
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 — — US disclosed
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 — — US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 — — US disclosed
US-10975071-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2021-04-13 — — US disclosed
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-04-01 — — US disclosed
US-10822312-B2 Substituted quinazoline compounds and methods of use ARAXES PHARMA LLC (US) 2020-11-03 — — US disclosed
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE ARAXES PHARMA, LLC 2019-05-02 — — US disclosed
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2019-04-02 — — US disclosed
US-20190092767-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2019-03-28 — — US disclosed
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-03-29 — — US disclosed
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-03-29 — — US disclosed
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-01-18 — — US disclosed
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-01-18 — — US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 — — US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 — — US disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NOS1 4867/4885IDO1 4831/4885AXL 2527/4885
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS NOS1 2860/4885IDO1 3856/4885AXL 1098/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NOS1 2860/4885IDO1 3856/4885AXL 1098/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 NOS1 4726/4885IDO1 4774/4885AXL 1470/4885
US-20190127336-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE NRAS, KRAS, HRAS NOS1 4504/4885IDO1 4035/4885AXL 3623/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS NOS1 4651/4885IDO1 4356/4885AXL 1051/4885
US-10975071-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, HRAS NOS1 3667/4885IDO1 4469/4885AXL 1634/4885
US-20190092767-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS NOS1 3667/4885IDO1 4469/4885AXL 1634/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS NOS1 2789/4885IDO1 3535/4885AXL 1472/4885
US-20180086753-A1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NOS1 4229/4885IDO1 4554/4885AXL 1737/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS NOS1 4773/4885IDO1 4758/4885AXL 1914/4885
US-10822312-B2 Substituted quinazoline compounds and methods of use NRAS, KRAS, HRAS NOS1 4386/4885IDO1 2689/4885AXL 4511/4885
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC NOS1 4705/4885IDO1 4560/4885AXL 1989/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NOS1 3116/4885IDO1 4190/4885AXL 1042/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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