SCHEMBL4097513

SCHEMBL4097513

CCCOc1ccccc1-c1nc(N(CC)c2ccc(C(F)(F)F)cc2Cl)nc2cn[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
METAP2 P50579 1/20 0.33
KMT2A Q03164 1/20 0.32
GCGR P47871 1/20 0.32
MAPK14 Q16539 1/20 0.32
HPGD P15428 3/20 0.32
TRPA1 O75762 1/20 0.32
CRHR1 P34998 2/20 0.31
PDE2A O00408 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
NLRP3 Q96P20 1/20 0.30
SCN8A Q9UQD0 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
SCHEMBL4090336 0.94 TRPA1 (0.38) METAP2KMT2AHPGDTRPA1CRHR1
SCHEMBL4102524 0.93 CRHR1 (0.33) METAP2KMT2AHPGDTRPA1CRHR1
SCHEMBL4106287 0.91 SMN1; SMN2 (0.35) HPGDTRPA1CRHR1PDE2AKDM4E
SCHEMBL4090274 0.90 TRPA1 (0.37) METAP2HPGDTRPA1CRHR1KDM4E
SCHEMBL4099101 0.90 TRPA1 (0.32) HPGDTRPA1KDM4EALDH1A1LMNA
SCHEMBL4091444 0.89 TRPA1 (0.40) PDE5AHPGDTRPA1CRHR1NLRP3
SCHEMBL4090241 0.89 CRHR1 (0.31) TRPA1CRHR1
SCHEMBL4096874 0.89 TRPA1 (0.35) TRPA1CRHR1
SCHEMBL4109936 0.89 TRPA1 (0.37) METAP2TRPA1CRHR1
SCHEMBL4091287 0.88 METAP2 (0.32) METAP2PDE2A

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 PDE5A 982/4885PTGDR2 255/4885METAP2 955/4885

“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.