SCHEMBL1925912

SCHEMBL1925912

Cc1cc(-c2ncn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)c(C)c4)nc23)ccn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 17/20 0.46
▸ S1PR1 P21453 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.35
▸ PDK2 Q15119 1/20 0.34

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
SCHEMBL1925786 0.93 S1PR1 (0.40) GRM2S1PR1AAK1PDK2
SCHEMBL1924673 0.89 S1PR1 (0.36) GRM2S1PR1
SCHEMBL1924659 0.89 GRM2 (0.44) GRM2S1PR1
SCHEMBL1927217 0.87 GRM2 (0.44) GRM2S1PR1AAK1
SCHEMBL1924414 0.86 GRM2 (0.51) GRM2AAK1
SCHEMBL1924658 0.86 PSEN1 (0.37) GRM2S1PR1PDK2
SCHEMBL1924025 0.85 TP53 (0.48) GRM2PDK2
SCHEMBL1924522 0.85 TP53 (0.44) GRM2S1PR1PDK2
SCHEMBL1926736 0.84 KMO (0.41) GRM2
SCHEMBL1925499 0.84 TP53 (0.43) —

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 GRM2 219/4885S1PR1 967/4885AAK1 2024/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR GRM2 219/4885S1PR1 967/4885AAK1 2024/4885

“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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