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
SCHEMBL1230771 0.77 CYP1A2 (0.40)
SCHEMBL16617333 0.77
SCHEMBL2595676 0.77 MAP2K4 (0.30)
SCHEMBL16616856 0.74 NTRK1 (0.33) MAP2K1
SCHEMBL16097285 0.74
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.