SCHEMBL4102174

SCHEMBL4102174

CCN(c1nc(-c2c(O)cccc2F)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CRHR1 P34998 1/20 0.31
PTGES O14684 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CD38 P28907 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
SCHEMBL4101972 0.94 CRHR1 (0.33) NR1H2NR1H3CRHR1PTGESF7
SCHEMBL4091530 0.89 MAP4K1 (0.38) NR1H2NR1H3CRHR1PTGES
SCHEMBL4096513 0.88 HRH4 (0.35) NR1H2NR1H3CRHR1
SCHEMBL4102310 0.87 CRHR1 (0.33) NR1H2NR1H3CRHR1HSP90AA1HSP90AB1
SCHEMBL4098134 0.87 MAP4K1 (0.33) NR1H2NR1H3CRHR1
SCHEMBL4102485 0.86 CRHR1 (0.33) CRHR1
SCHEMBL4101015 0.86 MAP4K1 (0.32)
SCHEMBL4098135 0.86 MAP4K1 (0.32)
SCHEMBL4097982 0.85 KDM4E (0.33) CRHR1
SCHEMBL4105401 0.85 MAPT (0.34) NR1H2NR1H3CRHR1HSP90AA1

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 NR1H2 389/4885NR1H3 576/4885CRHR1 2/4885

“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.