SCHEMBL478628

SCHEMBL478628

Nc1n[nH]c2c[c]ccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 12/20 0.54
▸ GAA P10253 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ JAK2 O60674 6/20 0.47
▸ MAP2K1 Q02750 1/20 0.38
▸ AURKA O14965 3/20 0.37
▸ TGFBR1 P36897 3/20 0.37
▸ AURKB Q96GD4 3/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ CHUK O15111 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MAP3K5 Q99683 1/20 0.37
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL478887 0.87 PDPK1 (0.54) PDPK1GAAKDM4ECYP3A4JAK2
SCHEMBL16617333 0.77 — —
SCHEMBL1230771 0.77 CYP1A2 (0.40) —
SCHEMBL2595676 0.77 MAP2K4 (0.30) —
SCHEMBL16097285 0.74 — —
SCHEMBL16616856 0.74 NTRK1 (0.33) MAP2K1
SCHEMBL2466230 0.74 JAK2 (0.42) KDM4EJAK2CDK2JAK3
SCHEMBL27688056 0.74 JAK2 (0.70) PDPK1JAK2AURKATGFBR1AURKB
SCHEMBL16617173 0.72 PDE3B (0.33) —
SCHEMBL3788160 0.72 GRM4 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 — — US claimed
EP-4185588-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS Janssen Pharmaceutica NV (BE) 2023-05-31 — — EP claimed
CN-116134035-A 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2023-05-16 — — CN claimed
US-10842803-B2 Imidazopyridines Syk inhibitors Kronos Bio, Inc. (US) 2020-11-24 — — US claimed
EP-2373318-B1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT INC (US) 2019-06-05 — — EP claimed
US-20190117679-A1 IMIDAZOPYRIDINES SYK INHIBITORS Kronos Bio, Inc. 2019-04-25 — — US claimed
US-10092583-B2 Imidazopyridines Syk inhibitors GILEAD CONNECTICUT, INC. (US) 2018-10-09 — — US claimed
EP-2912037-B1 2-AMINOPYRIDINE COMPOUNDS MERCK PATENT GMBH (DE) 2018-08-22 — — EP claimed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 — — US claimed
US-9834541-B2 2-aminopyridine compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-12-05 — — US claimed
WO-2008076805-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-26 — — WO claimed
EP-1841504-A2 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2007-10-10 — — EP claimed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 — — WO claimed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 — — US claimed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 — — WO claimed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 — — WO claimed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 — — WO claimed
WO-2006076575-A2 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 — — WO claimed
US-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 — — US claimed
US-6960595-B2 5-6 to 5-7 Heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 — — US claimed

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-20190117679-A1 IMIDAZOPYRIDINES SYK INHIBITORS SYK, BTK, ZAP70 PDPK1 448/4885GAA 430/4885KDM4E 1920/4885
US-10092583-B2 Imidazopyridines Syk inhibitors SYK, BTK, ZAP70 PDPK1 448/4885GAA 430/4885KDM4E 1920/4885
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 PDPK1 1015/4885GAA 2125/4885KDM4E 1528/4885
US-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors TFPI, F3, F12 PDPK1 1904/4885GAA 2400/4885KDM4E 1669/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 PDPK1 70/4885GAA 2275/4885KDM4E 4152/4885
US-10842803-B2 Imidazopyridines Syk inhibitors SYK, BTK, ZAP70 PDPK1 448/4885GAA 430/4885KDM4E 1920/4885

“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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