SCHEMBL13079396

SCHEMBL13079396

O=C(O)c1ccc(Nc2nc(NC3CCC3)c3cn[nH]c3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.65
HTR2A P28223 2/20 0.58
HTR2C P28335 1/20 0.57
BTK Q06187 11/20 0.54
SYK P43405 5/20 0.51
JAK3 P52333 10/20 0.51

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
SCHEMBL13079878 0.88 IRAK4 (0.53) MERTKHTR2AHTR2CBTKSYK
SCHEMBL13079729 0.86 HTR2A (0.55) MERTKHTR2AHTR2CBTKSYK
SCHEMBL13048678 0.85 HTR2A (0.52) MERTKHTR2AHTR2CBTKSYK
SCHEMBL13048677 0.84 HTR2A (0.60) MERTKHTR2AHTR2CBTKSYK
SCHEMBL13079395 0.84 HTR2A (0.63) MERTKHTR2AHTR2CBTKSYK
SCHEMBL12085425 0.83 MERTK (0.66) MERTKBTKJAK3
SCHEMBL13048667 0.83 SYK (0.57) HTR2AHTR2CBTKSYKJAK3
SCHEMBL13048682 0.82 HTR2A (0.57) MERTKHTR2AHTR2CBTKSYK
SCHEMBL13048674 0.82 CDK2 (0.60) MERTKHTR2AHTR2CBTKSYK
SCHEMBL13048670 0.81 HTR2A (0.59) HTR2AHTR2CBTKSYKJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298557-A1 PYRAZOLOPYRIMIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-11-25 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-20100298557-A1 PYRAZOLOPYRIMIDINE COMPOUND SYK, LCK, FYN MERTK 35/4885HTR2A 4430/4885HTR2C 4181/4885

“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.