SCHEMBL263783

SCHEMBL263783

CCCOc1ccc(F)cc1-c1ccc(N)nc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.48
TLR8 Q9NR97 2/20 0.42
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HTR2A P28223 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
PDE5A O76074 1/20 0.37
NCF1 P14598 2/20 0.37

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
SCHEMBL23665203 0.92 MCHR1 (0.50) MCHR1TLR8HTR2CHTR2BHTR2A
SCHEMBL264202 0.87 MCHR1 (0.36) MCHR1NCF1CYBBBACE1ALOX5AP
SCHEMBL23665256 0.85 MCHR1 (0.46) MCHR1TLR8MEN1MAPTKMT2A
SCHEMBL23665191 0.83 PTGDR2 (0.46) MCHR1TLR8MEN1MAPTKMT2A
SCHEMBL23665199 0.79 MCHR1 (0.48) MCHR1TLR8MEN1MAPTKMT2A
SCHEMBL3766635 0.78 MCHR1 (0.38) MCHR1NCF1CYBBBACE1
SCHEMBL21223516 0.78 MCHR1 (0.46) MCHR1TLR8BACE1NOS3NOS1
SCHEMBL21223293 0.76 MCHR1 (0.57) MCHR1TLR8MEN1MAPTKMT2A
SCHEMBL21223549 0.74 MCHR1 (0.42) MCHR1MAPTTP53BACE1
SCHEMBL14988788 0.73 MEN1 (0.47) MCHR1TLR8HTR2CHTR2BHTR2A

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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
EP-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 EP disclosed
EP-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 EP disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
CN-101675040-A 2-pyridinecarboxamide derivatives as sodium channel modulators PFIZER LTD 2010-03-17 CN disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
WO-2008135826-A2 2 -PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2008-11-13 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 MCHR1 3276/4885TLR8 2324/4885HTR2C 569/4885
US-20090048306-A1 PYRIDINE DERIVATIVES SDHA, P2RX4, P2RX3 MCHR1 3318/4885TLR8 3225/4885HTR2C 770/4885

“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.