SCHEMBL22328043

SCHEMBL22328043

Cc1cc(Cl)c2[nH]ccc2c1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.34
PRKCI P41743 2/20 0.34
P2RX7 Q99572 4/20 0.34
CFB P00751 3/20 0.32
AURKA O14965 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
AHR P35869 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL25724317 0.79
SCHEMBL20939366 0.78 P2RX7 (0.42) AXLPRKCIP2RX7CFBAURKA
SCHEMBL23916844 0.74 P2RX7 (0.36) AXLPRKCIP2RX7CFBAURKA
SCHEMBL23239423 0.74 CYP1A2 (0.32) P2RX7CFB
SCHEMBL22328038 0.72 NOS1 (0.33)
SCHEMBL19420465 0.72 ACHE (0.39) AXLPRKCIP2RX7AURKATPX2
SCHEMBL18683281 0.71 P2RX7 (0.38) AXLPRKCIP2RX7CFBAURKA
SCHEMBL1465882 0.70 AHR (0.42) AXLPRKCIP2RX7CFBAURKA
SCHEMBL21237262 0.69 AHR (0.38) AXLPRKCIP2RX7AHRNR3C1
SCHEMBL1146475 0.68 P2RX7 (0.40) AXLPRKCIP2RX7AURKATPX2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS ARAXES PHARMA LLC (US) 2021-12-09 US disclosed
US-10745385-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2020-08-18 US disclosed
US-10736897-B2 Compounds and methods of use thereof for treatment of cancer ARAXES PHARMA LLC (US) 2020-08-11 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 (5 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-10736897-B2 Compounds and methods of use thereof for treatment of cancer KRAS, NRAS, HRAS AXL 1454/4885PRKCI 163/4885P2RX7 4151/4885
US-10745385-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS AXL 1987/4885PRKCI 154/4885P2RX7 4568/4885
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS KRAS, NRAS, G3BP2 AXL 2025/4885PRKCI 1016/4885P2RX7 4549/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 AXL 1470/4885PRKCI 674/4885P2RX7 3403/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS AXL 1472/4885PRKCI 279/4885P2RX7 2651/4885

“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.