SCHEMBL21733973

SCHEMBL21733973

Cc1cc(N)nc(C)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.40
NOS3 P29474 4/20 0.40
NOS1 P29475 4/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
BACE1 P56817 3/20 0.38
PRMT5 O14744 1/20 0.34
REN P00797 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL24756842 0.83 HSP90AA1 (0.38) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL18310656 0.81 NOS2 (0.41) NOS2NOS3NOS1BACE1PRMT5
SCHEMBL31234990 0.80 HSP90AA1 (0.36) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL24615642 0.80 HSP90AA1 (0.36) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL29851065 0.80 HSP90AA1 (0.36) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL22028956 0.80 HSP90AA1 (0.36) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL22028950 0.80 HSP90AA1 (0.36) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL29936752 0.80 HSP90AA1 (0.36) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL21733359 0.79 HSP90AA1 (0.35) NOS2NOS3NOS1HSP90AA1HSP90AB1
SCHEMBL26707264 0.79 BACE1 (0.42) NOS2NOS3NOS1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 US disclosed
WO-2024138486-A1 TETRACYCLIC DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 US disclosed
EP-4389751-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2024-06-26 EP disclosed
WO-2024091409-A1 TRICYCLIC DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
WO-2024054926-A1 KRAS G12D INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-14 WO disclosed
WO-2024044667-A2 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-02-29 WO disclosed
WO-2024040080-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2024-02-22 WO disclosed
WO-2024015262-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
WO-2023284730-A1 ALKYLIDENE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
WO-2022266015-A1 FUSED HETEROARYL COMPOUNDS USEFUL AS ANTICANCER AGENTS KUMQUAT BIOSCIENCES INC. (US) 2022-12-22 WO disclosed
WO-2022266206-A1 KRAS INHIBITOR CONJUGATES ERASCA, INC. (US) 2022-12-22 WO disclosed
WO-2022192790-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 WO disclosed
WO-2022148422-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEIGENE, LTD. (KY) 2022-07-14 WO disclosed
WO-2022081655-A1 SUBSTITUTED DIHYDROPYRANOPYRIMIDINE COMPOUNDS AS KRAS INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2022-04-21 WO disclosed
WO-2021239058-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 劲方医药科技(上海)有限公司 2021-12-02 WO disclosed
WO-2021219090-A1 QUINOXALINE DIONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN 北京泰德制药股份有限公司 (CN) 2021-11-04 WO disclosed
WO-2021063346-A1 KRAS G12C INHIBITOR AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2021-04-08 WO disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO 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 (3 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-20240217982-A1 KRAS INHIBITORS KRAS, NRAS, HRAS NOS2 4773/4885NOS3 4724/4885NOS1 4705/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS NOS2 4639/4885NOS3 4599/4885NOS1 4548/4885
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF AZI2, HDAC5, HDAC4 NOS2 3912/4885NOS3 3905/4885NOS1 4313/4885

“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.