SCHEMBL4102310

SCHEMBL4102310

CCN(c1nc(-c2ccccc2O)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.33
NR1H2 P55055 4/20 0.33
NR1H3 Q13133 4/20 0.33
METAP2 P50579 1/20 0.32
EPAS1 Q99814 1/20 0.32
CHUK O15111 1/20 0.31
TXNRD1 Q16881 1/20 0.31
NOX4 Q9NPH5 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
DHFR P00374 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL4107196 0.92 RXFP1 (0.38) CRHR1NR1H2NR1H3EPAS1TRPA1
SCHEMBL4107183 0.91 CRHR1 (0.35) CRHR1NR1H2NR1H3METAP2TRPA1
SCHEMBL4095952 0.90 CRHR1 (0.41) CRHR1TRPA1TRPM8TRPV1
SCHEMBL4100749 0.90 METAP2 (0.36) CRHR1NR1H2NR1H3METAP2TRPA1
SCHEMBL4101998 0.89 HPGD (0.35) CRHR1NR1H2NR1H3METAP2EPAS1
SCHEMBL4106287 0.88 SMN1; SMN2 (0.35) CRHR1TRPA1TRPM8DHFR
SCHEMBL4090336 0.87 TRPA1 (0.38) CRHR1METAP2TRPA1RXFP1
SCHEMBL4090274 0.87 TRPA1 (0.37) CRHR1METAP2TRPA1TRPM8TRPV1
SCHEMBL4102174 0.87 NR1H2 (0.33) CRHR1NR1H2NR1H3HSP90AA1HSP90AB1
SCHEMBL4102524 0.86 CRHR1 (0.33) CRHR1METAP2TRPA1

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 2/4885NR1H2 389/4885NR1H3 576/4885

“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.