SCHEMBL4095778

SCHEMBL4095778

CCC(C(=O)O)(c1cccnc1)c1nc(NCCc2ccc(C(F)(F)F)cc2Cl)nc2cn[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.36
PIKFYVE Q9Y2I7 4/20 0.34
PTGDR Q13258 2/20 0.34
TRPA1 O75762 1/20 0.33
RORC P51449 1/20 0.33
POLQ O75417 1/20 0.32
CYP19A1 P11511 1/20 0.32
VNN1 O95497 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX7 Q99572 3/20 0.31
MKNK2 Q9HBH9 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
SCHEMBL4095773 0.84 PDE2A (0.38) CRHR1PIKFYVERORCCYP19A1MEN1
SCHEMBL4095782 0.79 NR1H2 (0.34) CRHR1RORCPOLQCYP19A1MEN1
SCHEMBL4095980 0.67 PTGDR (0.33) PTGDRMEN1KMT2A
SCHEMBL10666574 0.58 CYP19A1 (0.45) CYP19A1MEN1KMT2A
SCHEMBL17594429 0.58 PIM1 (0.40) TRPA1MEN1KMT2A
SCHEMBL17591693 0.58 PRKCQ (0.36) MKNK2
SCHEMBL3722092 0.58 PTGDR (0.43) PTGDR
SCHEMBL18255073 0.57 TRPV1 (0.48) MEN1KMT2AP2RX7
SCHEMBL4007916 0.57 FFAR1 (0.58)
Trifluoroacetic Acid SCHEMBL30036865 0.56 MEN1 (0.49) CYP19A1MEN1TSHRKMT2A

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 CRHR1 2/4885PIKFYVE 3675/4885PTGDR 171/4885

“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.