SCHEMBL529902

SCHEMBL529902

NC(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.51
RAB9A P51151 4/20 0.49
CFTR P13569 1/20 0.48
CYP1A2 P05177 2/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
STAT1 P42224 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
MAOB P27338 1/20 0.45
FAAH O00519 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 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
SCHEMBL3102896 0.85 MGAM (0.57) MGAMRAB9ACFTRCYP1A2MAOB
SCHEMBL29750532 0.85 MGAM (0.57) MGAMRAB9ACFTRCYP1A2MAOB
SCHEMBL530807 0.84 TRPM5 (0.50) MGAMRAB9ACFTRCYP1A2NPSR1
SCHEMBL12505006 0.81 MGAM (0.57) MGAMRAB9ACFTRNPC1FAAH
SCHEMBL6597946 0.80 CYP1A2 (0.52) MGAMRAB9ACFTRCYP1A2HPGD
SCHEMBL4069176 0.80 CYP1A2 (0.53) MGAMRAB9ACFTRCYP1A2NPSR1
SCHEMBL14075590 0.80 MGAM (0.47) MGAMRAB9ACFTRCYP1A2NPSR1
SCHEMBL6239112 0.80 KDM4E (0.55) MGAMRAB9ANPC1HPGDNFKB1
SCHEMBL5856432 0.79 CYP1A2 (0.52) MGAMRAB9ACFTRCYP1A2MAOB
SCHEMBL24487053 0.79 CYP1A2 (0.42) MGAMRAB9ACFTRCYP1A2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917214-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2015-09-16 EP claimed
WO-2014072220-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-05-15 WO claimed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
EP-2917214-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2015-09-16 EP disclosed
WO-2014072220-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-05-15 WO disclosed
WO-2014067985-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 WO disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
US-8431556-B2 C-21-keto lupane derivatives preparation and use thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-30 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed
US-20110077228-A1 NOVEL C-21-KETO LUPANE DERIVATIVES PREPARATION AND USE THEREOF MOINET CHRISTOPHE 2011-03-31 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
WO-2008014221-A2 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-01-31 WO disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
WO-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 WO disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN 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-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 MGAM 128/4885RAB9A 1263/4885CFTR 43/4885
US-20110077228-A1 NOVEL C-21-KETO LUPANE DERIVATIVES PREPARATION AND USE THEREOF CYP51A1, CYP17A1, HSD17B7 MGAM 3226/4885RAB9A 2221/4885CFTR 1450/4885

“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.