SCHEMBL1924539

SCHEMBL1924539

FC(F)(F)c1ccc(-c2cc(C(F)(F)F)n3cnc(-c4ccncc4)c3n2)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.36
▸ CTSS P25774 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ PSD A5PKW4 1/20 0.33
▸ MAPK14 Q16539 3/20 0.33
▸ MAPK13 O15264 2/20 0.33
▸ MAPK12 P53778 2/20 0.33
▸ MAPK11 Q15759 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32

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
SCHEMBL1926435 0.91 CYP11B2 (0.42) KDM4EALDH1A1MAPK14MAPK13MAPK12
SCHEMBL1924673 0.90 S1PR1 (0.36) CTSSKDM4EALDH1A1HPGDTSHR
SCHEMBL1926709 0.90 S1PR1 (0.46) CTSSKDM4EALDH1A1HPGDTSHR
SCHEMBL1925037 0.87 AAK1 (0.44) CTSSMAPK14CYP3A4AAK1
SCHEMBL1923886 0.87 CTSS (0.37) CTSSKDM4EALDH1A1HPGDTSHR
SCHEMBL1924870 0.87 KIF11 (0.44) KDM4EALDH1A1HPGDPSDMAPK14
SCHEMBL1925786 0.87 S1PR1 (0.40) S1PR1AAK1
SCHEMBL1925301 0.85 CTSS (0.41) CTSSKDM4EALDH1A1HPGDTSHR
SCHEMBL1924970 0.85 CTSS (0.47) CTSSCYP3A4AAK1
SCHEMBL1924113 0.85 PSD (0.47) KDM4EALDH1A1HPGDHSD17B10PSD

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
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
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 NOTUM 4036/4885CTSS 2730/4885KDM4E 1251/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR NOTUM 4036/4885CTSS 2730/4885KDM4E 1251/4885

“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.

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