SCHEMBL13048680

SCHEMBL13048680

O=Cc1cccc(Nc2nc(NC3CCC3)c3cn[nH]c3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 1/20 0.50
BTK Q06187 13/20 0.47
JAK3 P52333 12/20 0.47
SYK P43405 1/20 0.46
PAK4 O96013 3/20 0.45
PLK4 O00444 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45

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
SCHEMBL13048677 0.87 HTR2A (0.60) HTR2AHTR2CBTKJAK3SYK
SCHEMBL13079878 0.84 IRAK4 (0.53) HTR2AHTR2CBTKJAK3SYK
SCHEMBL13048682 0.80 HTR2A (0.57) HTR2AHTR2CBTKJAK3SYK
SCHEMBL1937577 0.80 SYK (0.50) SYK
SCHEMBL13079395 0.78 HTR2A (0.63) HTR2AHTR2CBTKJAK3SYK
SCHEMBL1937791 0.78 CTSC (0.53) JAK3SYK
SCHEMBL13048651 0.77 ULK1 (0.54) HTR2AHTR2CBTKJAK3SYK
SCHEMBL13079396 0.77 MERTK (0.65) HTR2AHTR2CBTKJAK3SYK
SCHEMBL1937543 0.76 SYK (0.50) SYK
SCHEMBL13048674 0.76 CDK2 (0.60) HTR2AHTR2CBTKJAK3SYK

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 HTR2A 4430/4885HTR2C 4181/4885BTK 11/4885

“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.