SCHEMBL1735558

SCHEMBL1735558

Cc1[nH]c2c(-c3ccccc3)nccc2c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 9/20 0.59
HTR2B P41595 1/20 0.59
HTR5A P47898 1/20 0.59
BCHE P06276 3/20 0.58
NQO2 P16083 1/20 0.52
IDO1 P14902 4/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 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
Hydrochloric Acid SCHEMBL1737607 0.98 TDO2 (0.58) TDO2HTR2BHTR5ABCHENQO2
SCHEMBL1736399 0.87 BCHE (0.51) TDO2HTR2BHTR5ABCHENQO2
SCHEMBL1737859 0.84 BCHE (0.58) TDO2HTR2BHTR5ABCHENQO2
SCHEMBL1735797 0.84 TDO2 (0.58) TDO2HTR2BHTR5ABCHENQO2
Hydrochloric Acid SCHEMBL1737608 0.83 TDO2 (0.57) TDO2HTR2BHTR5ABCHENQO2
Hydrochloric Acid SCHEMBL1738504 0.83 BCHE (0.57) TDO2HTR2BHTR5ABCHENQO2
SCHEMBL1736630 0.82 HTR2B (0.65) TDO2HTR2BHTR5ABCHENQO2
SCHEMBL1735593 0.81 BCHE (0.41) TDO2HTR2BHTR5ABCHENQO2
SCHEMBL1736683 0.81 BCHE (0.53) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL1737727 0.81 HTR2B (0.64) TDO2HTR2BHTR5ABCHENQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed
US-8188114-B2 Pyrrolo[2,3-C]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-05-29 US disclosed
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP disclosed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US disclosed
US-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2010-03-18 US disclosed
US-7662832-B2 Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-02-16 US disclosed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 US 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-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H TDO2 433/4885HTR2B 1231/4885HTR5A 784/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H TDO2 433/4885HTR2B 1231/4885HTR5A 784/4885

“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.