SCHEMBL1924754

SCHEMBL1924754

Cc1cccc(-c2cc(C(F)(F)F)n3cnc(C#N)c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.42
CTSK P43235 5/20 0.42
AR P10275 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SDHB P21912 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 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
SCHEMBL1924945 0.88 CTSK (0.54) CTSSCTSKTP53KDM4EALDH1A1
SCHEMBL1925741 0.87 KDM4E (0.46) CTSSCTSKARADORA2AADORA1
SCHEMBL1924278 0.87 KDM4E (0.46) CTSSCTSKMAPTTP53HSD17B10
SCHEMBL1925694 0.86 CTSS (0.42) CTSSCTSKADORA2AADORA1TP53
SCHEMBL1924030 0.83 CTSS (0.48) CTSSCTSK
SCHEMBL1924897 0.83 CTSS (0.40) CTSSCTSK
SCHEMBL1924221 0.82 KDM4E (0.42) CTSSADORA2AMAPTTP53HSD17B10
SCHEMBL1923924 0.81 CTSS (0.38) CTSSCTSKMAPTTP53HSD17B10
SCHEMBL312753 0.81 CTSS (0.43) CTSSCTSKADORA2AMAPTTP53
SCHEMBL1924012 0.81 SDHB (0.39) CTSKARSDHBMAPTHSD17B10

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 10 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
CN-101239981-B Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE 2011-01-19 CN 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
CN-101239981-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2008-08-13 CN 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
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 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-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CTSS 2730/4885CTSK 2029/4885AR 4091/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CTSS 2730/4885CTSK 2029/4885AR 4091/4885

“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.