SCHEMBL1924686

SCHEMBL1924686

FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c(-c3cccnc3)ncn12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 6/20 0.50
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
CYP19A1 P11511 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPY5R Q15761 1/20 0.37

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
SCHEMBL1924312 0.90 NPY5R (0.43) PSDSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1925737 0.90 PSD (0.42) PSDKDM4EALDH1A1HPGDCYP19A1
SCHEMBL1924537 0.87 GAA (0.43) PSDKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1924113 0.86 PSD (0.47) PSDKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1925115 0.86 PIM1 (0.47) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1925499 0.83 TP53 (0.43) PSDKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1924986 0.83 TP53 (0.46) PSDKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1924866 0.83 NPC1 (0.38) PSDSMN1; SMN2GAANPC1RAB9A
SCHEMBL1924025 0.80 TP53 (0.48) PSDKDM4EALDH1A1HPGDHTT
SCHEMBL1924870 0.77 KIF11 (0.44) PSDKDM4EALDH1A1HPGDMAPT

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 PSD 332/4885KDM4E 1251/4885ALDH1A1 468/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR PSD 332/4885KDM4E 1251/4885ALDH1A1 468/4885

“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.