SCHEMBL10258993

SCHEMBL10258993

CCc1cnn2cc(C#N)cnc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HSD11B1 P28845 1/20 0.39
KCNJ5 P48544 2/20 0.39
IRAK4 Q9NWZ3 14/20 0.38
PTGER4 P35408 1/20 0.37
EGLN2 Q96KS0 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
SCHEMBL29791699 0.88 KCNJ5 (0.44) KDM4EHSD11B1KCNJ5IRAK4PTGER4
SCHEMBL10280421 0.84 KDM4E (0.36) KDM4EHSD11B1KCNJ5IRAK4PTGER4
SCHEMBL24767177 0.78 KDM4E (0.43) KDM4EHSD11B1KCNJ5IRAK4EGLN2
SCHEMBL15344923 0.76 PDE2A (0.44) HSD11B1
SCHEMBL359700 0.75 KDM4E (0.57) KDM4EHSD11B1
SCHEMBL17080357 0.75 PRKAB2 (0.47) KDM4EHSD11B1KCNJ5IRAK4EGLN2
SCHEMBL31470548 0.75 SMPD3 (0.44) KDM4EHSD11B1KCNJ5IRAK4EGLN2
SCHEMBL15333581 0.75 POLB (0.43) KDM4EIRAK4
SCHEMBL24508343 0.74 HSD11B1 (0.52) KDM4EHSD11B1IRAK4
SCHEMBL18309178 0.74 CYP11B2 (0.40) KDM4EEGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 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 (4 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 261/4885HSD11B1 2742/4885KCNJ5 2827/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 261/4885HSD11B1 2742/4885KCNJ5 2827/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 KDM4E 261/4885HSD11B1 2742/4885KCNJ5 2827/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 261/4885HSD11B1 2742/4885KCNJ5 2827/4885

“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.