SCHEMBL4101998

SCHEMBL4101998

CCN(c1nc(-c2cccc3ccccc23)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
CRHR1 P34998 8/20 0.35
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
PGK1 P00558 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
EPAS1 Q99814 1/20 0.31
TGFBR1 P36897 1/20 0.31
MAPK14 Q16539 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TRPA1 O75762 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
DHFR P00374 1/20 0.30
NLRP3 Q96P20 1/20 0.30
METAP2 P50579 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
SCHEMBL4107196 0.91 RXFP1 (0.38) CRHR1NR1H2NR1H3RXFP1EPAS1
SCHEMBL4107183 0.90 CRHR1 (0.35) CRHR1NR1H2NR1H3TRPA1TRPM8
SCHEMBL4095952 0.90 CRHR1 (0.41) CRHR1TRPA1TRPM8TRPV1
SCHEMBL4102310 0.89 CRHR1 (0.33) CRHR1NR1H2NR1H3RXFP1EPAS1
SCHEMBL4100749 0.89 METAP2 (0.36) CRHR1NR1H2NR1H3RXFP1TRPA1
SCHEMBL4090226 0.87 METAP2 (0.37) CRHR1NR1H2NR1H3NLRP3METAP2
SCHEMBL4106287 0.87 SMN1; SMN2 (0.35) HPGDCRHR1TRPA1TRPM8DHFR
SCHEMBL4090336 0.86 TRPA1 (0.38) HPGDCRHR1RXFP1TRPA1NLRP3
SCHEMBL4090274 0.86 TRPA1 (0.37) HPGDCRHR1TRPA1TRPM8TRPV1
SCHEMBL4102524 0.86 CRHR1 (0.33) HPGDCRHR1TRPA1NLRP3METAP2

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 HPGD 1017/4885CRHR1 2/4885NR1H2 389/4885

“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.