SCHEMBL4096513

SCHEMBL4096513

CCOc1cccc(F)c1-c1nc(N(CC)c2ccc(C(F)(F)F)cc2Cl)nc2cn[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.35
NLRP3 Q96P20 2/20 0.34
MAP4K1 Q92918 2/20 0.33
FGFR2 P21802 2/20 0.32
FGFR1 P11362 1/20 0.32
MRGPRX4 Q96LA9 4/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 2/20 0.31
TRPA1 O75762 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL4098134 0.94 MAP4K1 (0.33) HRH4MAP4K1MRGPRX4HPGDNR1H2
SCHEMBL4101015 0.94 MAP4K1 (0.32) HRH4MAP4K1MRGPRX4HPGD
SCHEMBL4098135 0.93 MAP4K1 (0.32) MAP4K1MRGPRX4HPGD
SCHEMBL4091530 0.93 MAP4K1 (0.38) MAP4K1HPGDNR1H2NR1H3CRHR1
SCHEMBL4097982 0.92 KDM4E (0.33) MAP4K1MRGPRX4ALDH1A1HPGDMEN1
SCHEMBL4101972 0.92 CRHR1 (0.33) TRPA1NR1H2NR1H3CRHR1
SCHEMBL4096474 0.92 MAP4K1 (0.31) MAP4K1MRGPRX4
SCHEMBL4106573 0.91 TRPA1 (0.34) HRH4MAP4K1TRPA1
SCHEMBL4102485 0.91 CRHR1 (0.33) MAP4K1TRPA1CRHR1
SCHEMBL4100797 0.91 FGFR2 (0.35) HRH4NLRP3FGFR2MRGPRX4

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 4 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 claimed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP claimed
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 HRH4 42/4885NLRP3 804/4885MAP4K1 348/4885

“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.