SCHEMBL1003566

SCHEMBL1003566

O/N=C1\CCCc2[nH]c3cc(Br)ccc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
GSK3B P49841 6/20 0.40
GSK3A P49840 4/20 0.40
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 3/20 0.40
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAP3K14 Q99558 1/20 0.39
LMNA P02545 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL1003568 1.00 MAPT (0.47) MAPTGSK3BGSK3ACDK5CDK5R1
SCHEMBL13746901 0.89 MAPT (0.57) MAPTGSK3BGSK3ACDK5CDK5R1
SCHEMBL4281540 0.79 KDM4E (0.44) MAPTHSD17B10LMNAMEN1KMT2A
SCHEMBL4281532 0.79 KDM4E (0.44) MAPTHSD17B10LMNAMEN1KMT2A
SCHEMBL1004766 0.78 MAPT (0.50) MAPTGSK3BGSK3ACDK5CDK5R1
SCHEMBL12927812 0.78 MAPT (0.50) MAPTGSK3BGSK3ACDK5CDK5R1
SCHEMBL4152464 0.77 MAPT (0.56) MAPTGSK3BGSK3ACDK5CDK5R1
SCHEMBL4152466 0.77 MAPT (0.56) MAPTGSK3BGSK3ACDK5CDK5R1
SCHEMBL2305408 0.74 KDM4E (0.50) MAPTMAP3K14LMNAMEN1KMT2A
SCHEMBL2305405 0.74 KDM4E (0.50) MAPTMAP3K14LMNAMEN1KMT2A

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
EP-2448585-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-05-09 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
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 MAPT 3970/4885GSK3B 3465/4885GSK3A 3689/4885

“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.