SCHEMBL595108

SCHEMBL595108

O=C(O)Nc1ccc(F)nc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.57
KCNQ2 O43526 6/20 0.57
P4HTM Q9NXG6 5/20 0.46
FOLH1 Q04609 1/20 0.46
KCNE1 P15382 3/20 0.44
KCNQ1 P51787 3/20 0.44
BACE1 P56817 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41

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
SCHEMBL5630255 0.82 KCNQ3 (0.55) KCNQ3KCNQ2P4HTMFOLH1KCNE1
SCHEMBL5630257 0.82 KCNQ3 (0.55) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL11326868 0.80 KCNQ3 (0.67) KCNQ3KCNQ2P4HTMKCNE1KCNQ1
SCHEMBL31129256 0.79 KCNQ3 (0.53) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL19151063 0.78 SMN1; SMN2 (0.55) KCNQ3KCNQ2FOLH1NPC1RAB9A
SCHEMBL29678319 0.78 MAPT (0.60) KCNQ3KCNQ2FOLH1NPC1RAB9A
SCHEMBL30919458 0.78 NPSR1 (0.57) KCNQ3KCNQ2P4HTMNPC1RAB9A
SCHEMBL2242286 0.78 NPSR1 (0.57) KCNQ3KCNQ2P4HTMNPC1RAB9A
SCHEMBL28723833 0.78 P4HTM (0.42) KCNQ3KCNQ2P4HTMKCNE1KCNQ1
SCHEMBL9633198 0.77 NPC1 (0.56) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-19 US claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN claimed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US claimed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
EP-3484894-B1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US claimed
EP-3484894-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS Bristol-Myers Squibb Company (US) 2019-05-22 EP claimed
WO-2018013776-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO claimed
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-19 US disclosed
US-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-12-07 US disclosed
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-10-26 US disclosed
EP-4188930-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 EP disclosed
EP-4188928-A1 SUBSTITUTED 1 H-PYRROLO[3,2-B]PYRIDIN COMPOUNDS AND METHODS OF USE THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 EP disclosed
EP-1171440-B1 SUBSTITUTED-3-CYANO-[1.7],[1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES WYETH CORP (US) 2004-04-14 EP disclosed
US-6548496-B2 Anticancer agents AMERICAN CYANAMID COMPANY 2003-04-15 US disclosed
US-20020165229-A1 Substituted 3-cyano-[1.7], [1.5], and [1.8] naphthyridine inhibitors of tyrosine kinases AMERICAN CYANAMID COMPANY 2002-11-07 US disclosed
US-6355636-B1 ENZYME INHIBITORS AMERICAN CYANAMID COMPANY 2002-03-12 US disclosed
EP-1171440-A1 SUBSTITUTED-3-CYANO-[1.7],[1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES American Cyanamid Company (US) 2002-01-16 EP disclosed
WO-2000066583-A1 SUBSTITUTED 3-CYANO-[1.7], [1.5], AND [1.8]-NAPHTHYRIDINE INHIBITORS OF TYROSINE KINASES AMERICAN CYANAMID COMPANY (US) 2000-11-09 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 (6 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-20230391769-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF CYP11B2, SDHA, UGT2B7 KCNQ3 1923/4885KCNQ2 1548/4885P4HTM 356/4885
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, PF4 KCNQ3 472/4885KCNQ2 673/4885P4HTM 969/4885
US-11932658-B2 Tricyclic heteroaryl-substituted quinoline and azaquinoline compounds as PAR4 inhibitors F2RL3, PARP14, F2R KCNQ3 676/4885KCNQ2 769/4885P4HTM 1050/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 KCNQ3 2751/4885KCNQ2 3532/4885P4HTM 1036/4885
US-20020165229-A1 Substituted 3-cyano-[1.7], [1.5], and [1.8] naphthyridine inhibitors of tyrosine kinases ABL1, ROS1, ALK KCNQ3 2380/4885KCNQ2 2243/4885P4HTM 2067/4885
US-20230339939-A1 SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF CYP1B1, CYP4B1, CYP2C19 KCNQ3 1565/4885KCNQ2 1027/4885P4HTM 137/4885

“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.