SCHEMBL478887

SCHEMBL478887

Nc1n[nH]c2cc[c]cc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.54
JAK2 O60674 10/20 0.47
MAP2K1 Q02750 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
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
SCHEMBL478628 0.87 PDPK1 (0.54) PDPK1GAAKDM4ECYP3A4JAK2
SCHEMBL18188335 0.79 KDM4E (0.32) PDPK1GAAKDM4ECYP3A4
SCHEMBL1195920 0.79 PDPK1 (0.32) PDPK1GAAKDM4ECYP3A4
SCHEMBL5662185 0.79 PDPK1 (0.36) PDPK1GAAKDM4ECYP3A4JAK2
SCHEMBL2305274 0.79 KDM4E (0.32) PDPK1GAAKDM4ECYP3A4JAK2
SCHEMBL1694765 0.79 CYP1A2 (0.43) PDPK1GAAKDM4ECYP3A4JAK2
SCHEMBL16097619 0.76 KDM4E (0.31) PDPK1GAAKDM4ECYP3A4
SCHEMBL2563702 0.76 NTRK1 (0.34) PDPK1GAAKDM4ECYP3A4MAP2K1
SCHEMBL2466267 0.76 JAK2 (0.39) KDM4EJAK2JAK1TYK2JAK3
SCHEMBL5786090 0.75 MAP2K4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672973-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS Innopharm (Shanghai) Ltd. (CN) 2020-07-01 EP claimed
WO-2019037640-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-02-28 WO claimed
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP claimed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US claimed
US-20140336169-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2014-11-13 US claimed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US claimed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US claimed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US claimed
US-8748607-B2 Imidazopyrizine syk inhibitors GILEAD CONNECTICUT, INC. (US) 2014-06-10 US claimed
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP claimed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US claimed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US claimed
EP-1175419-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2002-01-30 EP claimed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 US claimed
WO-2000059902-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO claimed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP claimed
EP-0830349-B1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS DU PONT PHARM CO (US) 2000-03-22 EP claimed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 WO claimed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO 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 (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-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors F12, F11, TFPI PDPK1 2244/4885GAA 629/4885KDM4E 1129/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 PDPK1 3259/4885GAA 899/4885KDM4E 626/4885
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 PDPK1 3130/4885GAA 819/4885KDM4E 459/4885
US-20140336169-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, BTK, ZAP70 PDPK1 393/4885GAA 545/4885KDM4E 1611/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI PDPK1 3663/4885GAA 421/4885KDM4E 1218/4885

“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.