SCHEMBL3203918

SCHEMBL3203918

NC(=O)c1c(N)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
MAP2 P11137 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 6/20 0.46
ATM Q13315 2/20 0.46
NR4A2 P43354 2/20 0.45
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
LMNA P02545 2/20 0.44
MITF O75030 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
GPR3 P46089 1/20 0.43
EGFR P00533 2/20 0.42

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
SCHEMBL9690283 0.85 KDM4E (0.62) KDM4EMAP2TDP1ALDH1A1NR4A2
SCHEMBL10596909 0.81 KDM4E (0.49) KDM4EMAP2TDP1ALDH1A1ATM
SCHEMBL18824256 0.81 MAP2 (0.62) KDM4EMAP2TDP1ALDH1A1ATM
SCHEMBL3624515 0.79 NR4A2 (0.65) KDM4EALDH1A1NR4A2KMT2AHSD17B10
SCHEMBL29050101 0.79 MEN1 (0.61) KDM4EMAP2TDP1ALDH1A1KMT2A
SCHEMBL29025503 0.79 MAP2 (0.47) KDM4EMAP2TDP1ALDH1A1ATM
SCHEMBL17669160 0.79 PDGFRB (0.54) KDM4EMAP2TDP1ALDH1A1KMT2A
SCHEMBL1807094 0.79 NR4A2 (0.69) KDM4EALDH1A1NR4A2KMT2AHSD17B10
SCHEMBL721793 0.78 MAP2 (0.58) KDM4EMAP2TDP1ALDH1A1KMT2A
SCHEMBL17680433 0.77 MAP2 (0.45) KDM4EMAP2TDP1ALDH1A1ATM

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445529-B2 Indole derivative having, carbamoyl group, ureido group and substituted oxy group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-05-21 US disclosed
EP-2119703-B1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-12-12 EP disclosed
CN-101583598-B Novel indole derivative having inhibitory activity on i kappa b kinase SANTEN PHARMACEUTICAL CO LTD 2012-09-12 CN disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20110124668-A1 NOVEL INDOLE DERIVATIVE HAVING, CARBAMOYL GROUP, UREIDO GROUP AND SUBSTITUTED OXY GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP disclosed
CN-101583598-A Novel indole derivative having inhibitory activity on i kappa b kinase ss SANTEN PHARMACEUTICAL CO LTD (JP) 2009-11-18 CN disclosed
EP-1432715-B1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-03-19 EP disclosed
US-7312224-B2 Pyrimidine derivatives MERCK PATENT GMBH (DE) 2007-12-25 US disclosed
US-20040242595-A1 Pyrimidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-12-02 US disclosed
EP-1432715-A2 PYRIMIDINE DERIVATIVES MERCK PATENT GmbH (DE) 2004-06-30 EP disclosed
WO-2003031447-A2 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2003-04-17 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-20110124668-A1 NOVEL INDOLE DERIVATIVE HAVING, CARBAMOYL GROUP, UREIDO GROUP AND SUBSTITUTED OXY GROUP IKBKB, CHUK, RELA KDM4E 406/4885MAP2 2793/4885TDP1 3397/4885
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG KDM4E 1670/4885MAP2 964/4885TDP1 1270/4885
US-20040242595-A1 Pyrimidine derivatives TYMP, DPYD, TYMS KDM4E 2620/4885MAP2 4770/4885TDP1 7/4885

“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.