SCHEMBL3212967

SCHEMBL3212967

CCn1c(N)c(C(N)=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 6/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EGFR P00533 1/20 0.49
SRC P12931 1/20 0.49
HBB P68871 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44

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
SCHEMBL14896458 0.87 KDM4E (0.66) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL28131234 0.84 ALDH1A1 (0.54) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL28448190 0.83 KDM4E (0.52) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL3205310 0.81 CYP19A1 (0.54) KDM4EALDH1A1POLBMAPK1LMNA
SCHEMBL14142602 0.80 ALDH1A1 (0.78) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL3195703 0.79 KDM4E (0.49) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL9884403 0.76 EGFR (0.54) KDM4EALDH1A1POLBHPGDLMNA
SCHEMBL28158685 0.76 ALDH1A1 (0.61) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL23672277 0.74 KDM4E (0.44) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL30150496 0.73 KDM4E (0.68) KDM4EALDH1A1POLBHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG KDM4E 1670/4885ALDH1A1 3077/4885POLB 1942/4885
US-20040242595-A1 Pyrimidine derivatives TYMP, DPYD, TYMS KDM4E 2620/4885ALDH1A1 671/4885POLB 223/4885

“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.