SCHEMBL4100797

SCHEMBL4100797

CCOc1ccc(F)c(F)c1-c1nc(N(CC)c2ccc(C(F)(F)F)cc2Cl)nc2cn[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
NLRP3 Q96P20 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL4097547 0.93 CRHR1 (0.33)
SCHEMBL4103149 0.91 TRPA1 (0.32)
SCHEMBL4096513 0.91 HRH4 (0.35) FGFR2HRH4NLRP3MRGPRX4
SCHEMBL4104962 0.88 HPGD (0.35) HRH4NLRP3MRGPRX4
SCHEMBL4108314 0.86 HRH4 (0.39) FGFR2HRH4NLRP3MRGPRX4
SCHEMBL4098134 0.85 MAP4K1 (0.33) HRH4MRGPRX4
SCHEMBL4101972 0.85 CRHR1 (0.33)
SCHEMBL4090336 0.85 TRPA1 (0.38) FGFR2HRH4NLRP3MRGPRX4
SCHEMBL4101015 0.84 MAP4K1 (0.32) HRH4MRGPRX4
SCHEMBL4098135 0.84 MAP4K1 (0.32) MRGPRX4

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
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP 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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 FGFR2 878/4885HRH4 42/4885NLRP3 804/4885

“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.