SCHEMBL1004259

SCHEMBL1004259

O=C1NCCCc2[nH]c3cc(Br)ccc3c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.55
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.43
MAPKAPK2 P49137 1/20 0.41
PARP10 Q53GL7 2/20 0.41
PARP1 P09874 2/20 0.41
PARP11 Q9NR21 1/20 0.41
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
CCNE2 O96020 2/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CCNT1 O60563 1/20 0.40
EIF2AK2 P19525 1/20 0.40

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
SCHEMBL10154866 0.89 KDR (0.66) KDRHSD17B10MAPTMAPKAPK2PARP10
SCHEMBL1004766 0.81 MAPT (0.50) HSD17B10MAPTPARP1CCNB2CDK1
SCHEMBL619090 0.79 KDR (0.60) KDRHSD17B10PARP1CDK4CCND1
SCHEMBL22128354 0.77 HSD17B10 (0.44) HSD17B10MAPTCCNB2CDK1CCNB1
SCHEMBL12927812 0.75 MAPT (0.50) HSD17B10MAPTCCNB2CDK1CCNB1
SCHEMBL12351904 0.74 KDR (0.66) KDRMAPTPARP10PARP1CDK2
SCHEMBL10154870 0.74 KDR (0.66) KDRPARP10PARP1CDK5CDK5R1
SCHEMBL10154875 0.74 KDR (0.70) KDRHSD17B10MAPTMAPKAPK2PARP10
SCHEMBL7292576 0.74 PARP1 (0.46) KDRMAPKAPK2PARP10PARP1CCNE2
SCHEMBL25830852 0.72 CDK5 (0.43) MAPTMAPKAPK2PARP1CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
EP-2448585-B1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2014-01-01 EP disclosed
EP-2448585-B1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2014-01-01 EP disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
WO-2011003005-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 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 (1 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-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, HTR1E KDR 4619/4885HSD17B10 425/4885MAPT 3970/4885

“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.