SCHEMBL4089957

SCHEMBL4089957

CCN(c1ncc2c(cnn2-c2ccc3cccnc3c2)n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.32
NR3C1 P04150 5/20 0.32
CYP11B2 P19099 2/20 0.32
CYP11B1 P15538 1/20 0.32
PGR P06401 1/20 0.32
KCNH2 Q12809 1/20 0.31
CCR1 P32246 1/20 0.31
TRPV1 Q8NER1 3/20 0.30
OPRM1 P35372 1/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
ACACA Q13085 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
SCHEMBL4708043 0.70 CRHR1 (0.32) NR1H2NR1H3
SCHEMBL4090226 0.66 METAP2 (0.37) NR1H2NR1H3
SCHEMBL4089959 0.64 CRHR1 (0.34) NR1H2NR1H3
SCHEMBL1750585 0.63 ALDH1A1 (0.53) TRPV1
SCHEMBL4101822 0.62 CACNA1H (0.35) CYP11B2CYP11B1KCNH2GRIN1GRIN2B
Hydrochloric Acid SCHEMBL4614647 0.62 ALDH1A1 (0.52) TRPV1
SCHEMBL4107196 0.61 RXFP1 (0.38) TRPV1NR1H2NR1H3
SCHEMBL4108419 0.61 CRHR1 (0.33) NR1H2NR1H3
SCHEMBL4101972 0.61 CRHR1 (0.33) NR1H2NR1H3
SCHEMBL4102274 0.61 NLRP3 (0.33) NR1H2NR1H3

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 MET 434/4885NR3C1 21/4885CYP11B2 88/4885

“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.