SCHEMBL7572263

SCHEMBL7572263

Cc1ccc(C)c(C(=O)CC#N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TSHR P16473 3/20 0.50
KCNH2 Q12809 1/20 0.50
MAPT P10636 4/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
MITF O75030 1/20 0.42

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
SCHEMBL4850349 0.86 KCNH2 (0.50) MEN1KMT2AKCNH2MAPTALDH1A1
SCHEMBL22659816 0.83 MAPT (0.46) MEN1KMT2ATSHRKCNH2MAPT
SCHEMBL17088578 0.83 KCNH2 (0.48) MEN1KMT2ATSHRKCNH2MAPT
SCHEMBL29403310 0.83 MAPT (0.59) MEN1KMT2AKCNH2MAPTALDH1A1
SCHEMBL11350806 0.83 MAPT (0.59) MEN1KMT2AKCNH2MAPTALDH1A1
SCHEMBL21783120 0.79 CYP1A2 (0.46) MEN1KMT2ATSHRKCNH2MAPT
SCHEMBL22659365 0.79 CYP1A2 (0.48) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL741169 0.78 KMT2A (0.54) MEN1KMT2ATSHRKCNH2MAPT
SCHEMBL9720686 0.77 MEN1 (0.65) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL31693367 0.77 MEN1 (0.65) MEN1KMT2ATSHRMAPTALDH1A1

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-6448265-B1 CORTICOTROPIN RELEASING FACTOR(CRF); ANTIDEPRESSANT; (5-AMINO-1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-3-METHYLSULFANYL-1H -PYRAZOL-4-YL)-(2,5-DIMETHYLPHENYL)METHANONE FOR EXAMPLE PFIZER, INC. 2002-09-10 US disclosed
US-6441018-B2 TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES. PFIZER INC. 2002-08-27 US disclosed
US-20020049227-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY FARACI WILLIAM STEPHAN (US) 2002-04-25 US disclosed
US-20020016333-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY FARACI WILLIAM STEPHEN (US) 2002-02-07 US disclosed
US-6103900-A CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST WHICH TREAT STRESS-INDUCED DISEASES PFIZER INC (US) 2000-08-15 US disclosed
US-6005109-A CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY; EFFECTIVE IN THE TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES PFLIZER INC. (US) 1999-12-21 US disclosed
EP-0674624-B1 PYRAZOLES HAVING CRF ANTAGONIST ACTIVITY PFIZER (US) 1999-01-20 EP disclosed
US-5712303-A ANTIDEPRESSANTS PFIZER INC. (US) 1998-01-27 US disclosed
EP-0674624-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONIST ACTIVITY PFIZER INC. (US) 1995-10-04 EP disclosed
CN-1092768-A Pyrazoles and pyrazolopyrimidine PFIZER (US) 1994-09-28 CN disclosed
WO-1994013643-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONIST ACTIVITY PFIZER INC. (US) 1994-06-23 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-20020016333-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY CRH, CRHR1, CRHR2 MEN1 2637/4885KMT2A 4103/4885TSHR 232/4885
US-20020049227-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY CRH, CRHR1, CRHR2 MEN1 2637/4885KMT2A 4103/4885TSHR 232/4885

“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.