SCHEMBL14516141

SCHEMBL14516141

O=C(Nc1cc(-c2ccccc2)nc2c(C3CC3)cnn12)c1cc[n+]([O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.41
▸ ADORA1 P30542 2/20 0.40
▸ ATM Q13315 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ ADORA3 P0DMS8 3/20 0.39
▸ TMIGD3 P0DMS9 2/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL14395129 0.92 GRM5 (0.41) GRM5ADORA1AHRADORA3TMIGD3
SCHEMBL11931151 0.91 GRM5 (0.39) GRM5ADORA1AHRADORA3TMIGD3
SCHEMBL11931149 0.90 PARP1 (0.44) GRM5ADORA1AHRADORA3TMIGD3
SCHEMBL11931150 0.85 ADORA3 (0.52) ADORA3TMIGD3ALDH1A1
SCHEMBL11931153 0.82 ADORA3 (0.50) ADORA3TMIGD3ALDH1A1
SCHEMBL11931155 0.82 MAPT (0.41) AHRALDH1A1
SCHEMBL11931156 0.77 HPGD (0.38) AHRALDH1A1
SCHEMBL14395117 0.72 FAAH (0.38) ALDH1A1
SCHEMBL11931152 0.72 CDK2 (0.44) AHRALDH1A1
SCHEMBL13998498 0.71 GSK3B (0.48) AHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 — — EP disclosed
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 — — 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 (1 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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 GRM5 3594/4885ADORA1 4040/4885ATM 118/4885

“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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