SCHEMBL4107196

SCHEMBL4107196

CCN(c1nc(-c2ccccc2Cl)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
CRHR1 P34998 8/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
EPAS1 Q99814 1/20 0.35
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
HSD11B1 P28845 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL4107183 0.94 CRHR1 (0.35) CRHR1PDE2APDE10AGPBAR1NR1H2
SCHEMBL4095952 0.93 CRHR1 (0.41) CRHR1TRPA1TRPM8TRPV1
SCHEMBL4100749 0.92 METAP2 (0.36) RXFP1CRHR1NR1H2NR1H3TRPA1
SCHEMBL4102310 0.92 CRHR1 (0.33) RXFP1CRHR1EPAS1NR1H2NR1H3
SCHEMBL4101998 0.91 HPGD (0.35) RXFP1CRHR1CNR1CNR2EPAS1
SCHEMBL4106287 0.90 SMN1; SMN2 (0.35) CRHR1PDE2APDE10AGPBAR1TRPA1
SCHEMBL4090274 0.90 TRPA1 (0.37) CRHR1GPBAR1TRPA1TRPM8TRPV1
SCHEMBL4090336 0.90 TRPA1 (0.38) RXFP1CRHR1TRPA1
SCHEMBL4102524 0.89 CRHR1 (0.33) CRHR1TRPA1
SCHEMBL4097958 0.89 TRPA1 (0.37) CRHR1TRPA1

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 RXFP1 140/4885CRHR1 2/4885CNR1 89/4885

“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.