SCHEMBL1009507

SCHEMBL1009507

N#Cc1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.67
KDM4E B2RXH2 8/20 0.60
HPGD P15428 7/20 0.60
HSD17B10 Q99714 6/20 0.60
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
MAPK1 P28482 3/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
CDK2 P24941 1/20 0.55
TSHR P16473 3/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
GLA P06280 1/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
TP53 P04637 2/20 0.52

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 0.89 KDM4E (0.61) CSNK2A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL313181 0.89 CSNK2A1 (0.56) CSNK2A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1924058 0.89 CSNK2A1 (0.70) CSNK2A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1924384 0.89 CDK2 (0.54) CSNK2A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1924403 0.88 CSNK2A1 (0.52) CSNK2A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1924185 0.88 CSNK2A1 (0.53) CSNK2A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1924374 0.88 KDM4E (0.64) CSNK2A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1925112 0.87 MAPT (0.55) CSNK2A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1924280 0.87 CSNK2A1 (0.51) CSNK2A1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL1924895 0.84 L3MBTL1 (0.51) CSNK2A1KDM4EHPGDHSD17B10ALDH1A1

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 9 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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 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
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 (3 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 CSNK2A1 1897/4885KDM4E 1251/4885HPGD 169/4885
US-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 CSNK2A1 779/4885KDM4E 3157/4885HPGD 2564/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR CSNK2A1 1897/4885KDM4E 1251/4885HPGD 169/4885

“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.