SCHEMBL4765655

SCHEMBL4765655

Cc1nc(Cl)c(CCOS(C)(=O)=O)c(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 5/20 0.33
KDM4E B2RXH2 1/20 0.33
LRRK2 Q5S007 4/20 0.33
MCL1 Q07820 3/20 0.33
GAA P10253 1/20 0.32
CCR2 P41597 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL5496988 0.91 SMO (0.36) MEN1KMT2AMAPTKDM4ELRRK2
SCHEMBL2190430 0.82 EGFR (0.33) MEN1KMT2AMAPTKDM4ELRRK2
SCHEMBL2191701 0.82 TRPV1 (0.36) MEN1KMT2ALRRK2MCL1ALDH1A1
SCHEMBL4769088 0.79 THRB (0.38) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4765803 0.79 MEN1 (0.35) MEN1KMT2AMAPTKDM4ELRRK2
SCHEMBL5492382 0.74 CRHR1 (0.36)
SCHEMBL3270971 0.74 THRB (0.38) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5491121 0.69 LRRK2 (0.37) MEN1KMT2AMAPTKDM4ELRRK2
SCHEMBL5113294 0.68 CRHR1 (0.41) MEN1KMT2AALDH1A1LMNA
SCHEMBL20241572 0.67 CYP26A1 (0.40) KMT2AMAPTKDM4ECYP3A4CYP2D6

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-7462622-B2 Pyrrolo[2, 3-d] pyrimidine derivatives as corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2008-12-09 US disclosed
EP-1395591-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-04 EP disclosed
EP-1383747-B1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
CN-1649848-A Fused pyrimidines derivatives as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LTD (GB) 2005-08-03 CN disclosed
US-20050054661-A1 Corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2005-03-10 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 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-20050054661-A1 Corticotropin releasing factor antagonists CRHR1, CRH, CRHR2 MEN1 1950/4885KMT2A 4592/4885MAPT 4642/4885
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 MEN1 1506/4885KMT2A 4464/4885MAPT 3273/4885

“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.