SCHEMBL4095773

SCHEMBL4095773

CCC(C(=O)O)(c1cccnc1)c1nc(NC(C)c2ccc(C(F)(F)F)cc2Cl)nc2cn[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.38
ADORA2B P29275 5/20 0.35
ADORA3 P0DMS8 3/20 0.35
PIKFYVE Q9Y2I7 1/20 0.33
RORC P51449 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
S1PR1 P21453 1/20 0.33
CRHR1 P34998 1/20 0.32
MAPK14 Q16539 1/20 0.32
ADORA2A P29274 2/20 0.32
CYP19A1 P11511 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 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
SCHEMBL4095778 0.84 CRHR1 (0.36) PIKFYVERORCCRHR1CYP19A1MEN1
SCHEMBL4095782 0.79 NR1H2 (0.34) RORCCRHR1CYP19A1MEN1KMT2A
SCHEMBL10666574 0.58 CYP19A1 (0.45) CYP3A4CYP3A5CYP19A1MEN1KMT2A
SCHEMBL17594429 0.58 PIM1 (0.40) MEN1KMT2A
SCHEMBL17591693 0.58 PRKCQ (0.36) CYP3A4CYP3A5
SCHEMBL22279162 0.57 PDE2A (0.46) PDE2AMEN1KMT2A
SCHEMBL28670047 0.57 PDE2A (0.46) PDE2AMEN1KMT2A
SCHEMBL25376121 0.56 PDE2A (0.65) PDE2AKMT2A
SCHEMBL22279499 0.56 PDE2A (0.65) PDE2AKMT2A
Trifluoroacetic Acid SCHEMBL30036865 0.56 MEN1 (0.49) CYP3A4CYP3A5CYP19A1MEN1KMT2A

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-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 PDE2A 1101/4885ADORA2B 315/4885ADORA3 275/4885

“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.