SCHEMBL1925112

SCHEMBL1925112

Cc1cccc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
CSNK2A1 P68400 3/20 0.51
HSD17B10 Q99714 6/20 0.49
KDM4E B2RXH2 7/20 0.49
HPGD P15428 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 2/20 0.48
GLA P06280 1/20 0.48
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AR P10275 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL1924372 0.88 KDM4E (0.61) MAPTCSNK2A1HSD17B10KDM4EHPGD
SCHEMBL1924185 0.87 CSNK2A1 (0.53) MAPTCSNK2A1HSD17B10KDM4EHPGD
SCHEMBL1924374 0.87 KDM4E (0.64) MAPTCSNK2A1HSD17B10KDM4EHPGD
SCHEMBL1009507 0.87 CSNK2A1 (0.67) MAPTCSNK2A1HSD17B10KDM4EHPGD
SCHEMBL1924280 0.86 CSNK2A1 (0.51) MAPTCSNK2A1HSD17B10KDM4EHPGD
SCHEMBL6026638 0.84 HPGD (0.55) MAPTCSNK2A1HSD17B10KDM4EHPGD
SCHEMBL1924403 0.83 CSNK2A1 (0.52) MAPTCSNK2A1HSD17B10KDM4EHPGD
SCHEMBL1924868 0.82 KDM4E (0.47) MAPTCSNK2A1HSD17B10KDM4EHPGD
SCHEMBL1924383 0.81 CSNK2A1 (0.54) MAPTCSNK2A1HSD17B10KDM4EHPGD
SCHEMBL313181 0.81 CSNK2A1 (0.56) MAPTCSNK2A1HSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 US disclosed
CN-1890242-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 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-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR MAPT 1263/4885CSNK2A1 1897/4885HSD17B10 3505/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR MAPT 1263/4885CSNK2A1 1897/4885HSD17B10 3505/4885

“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.