SCHEMBL3234449

SCHEMBL3234449

COc1ccc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4c(N)ncnc43)C(C)(C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
FGFR2 P21802 15/20 0.40
FGFR1 P11362 14/20 0.39
FGFR3 P22607 14/20 0.39
FGFR4 P22455 8/20 0.39
MAP2K5 Q13163 1/20 0.38
TGFBR1 P36897 1/20 0.37
FYN P06241 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
SCHEMBL3227481 0.89 CCR1 (0.58) CCR1
SCHEMBL15096080 0.86 CCR1 (0.46) CCR1FGFR2FGFR1FGFR3FGFR4
Hydrochloric Acid SCHEMBL15092786 0.86 CCR1 (0.55) CCR1
SCHEMBL26188308 0.78 CCR1 (0.47) CCR1
SCHEMBL3225786 0.78 CCR1 (0.53) CCR1FYN
SCHEMBL1637661 0.77 CCR1 (0.72) CCR1
Hydrochloric Acid SCHEMBL3227494 0.76 CCR1 (0.71) CCR1
SCHEMBL16500309 0.75 CCR1 (0.51) CCR1
SCHEMBL13456458 0.75 CCR1 (0.44) CCR1
SCHEMBL3224268 0.75 CCR1 (0.42) CCR1TGFBR1FYN

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-20100069396-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2010-03-18 US claimed

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-20100069396-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 CCR1 1/4885FGFR2 3356/4885FGFR1 2208/4885

“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.