SCHEMBL1737668

SCHEMBL1737668

CN(Cc1ccc(F)cc1)c1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 4/20 0.41
SOS1 Q07889 1/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
GSR P00390 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MERTK Q12866 1/20 0.39
POLB P06746 2/20 0.38
ATM Q13315 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DAO P14920 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MDM2 Q00987 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL27931558 0.84 CHRNB2 (0.40) TXNRD1MAPTALDH1A1GSRMERTK
SCHEMBL1738265 0.79 MAPK1 (0.44) MAPTALDH1A1CRHBPCRHR2POLB
SCHEMBL963587 0.79 TXNRD1 (0.47) TXNRD1MAPTALDH1A1GSRMERTK
SCHEMBL1736929 0.77 NR1D1 (0.43) TXNRD1MAPTALDH1A1MERTKPOLB
SCHEMBL27913519 0.76 CHRNB2 (0.38) TXNRD1ALDH1A1GSRSMN1; SMN2LMNA
SCHEMBL27913485 0.75 CHRNB2 (0.40) TXNRD1MAPTALDH1A1GSRLMNA
SCHEMBL937505 0.75 MERTK (0.49) TXNRD1MAPTGSRMERTKPOLB
SCHEMBL29990867 0.75 MERTK (0.49) TXNRD1MAPTGSRMERTKPOLB
SCHEMBL16470410 0.74 MAPT (0.44) TXNRD1MAPTGSRMERTKPOLB
SCHEMBL27931633 0.73 CHRNB2 (0.36) TXNRD1MAPTALDH1A1GSRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101018789-B Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORP 2010-09-08 CN 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
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP disclosed
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-20 US disclosed
CN-101018789-A Pyrrolo[2,3-c]pyridine derivatives and processes for the preparation thereof YUHAN CORP (KR) 2007-08-15 CN disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 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-20100069430-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H TXNRD1 3486/4885SOS1 4756/4885MAPT 3920/4885
US-20070219230-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, ATP6V1H TXNRD1 3486/4885SOS1 4756/4885MAPT 3920/4885

“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.