SCHEMBL4101972

SCHEMBL4101972

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PTGES O14684 3/20 0.33
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
METAP2 P50579 1/20 0.31
PTGS1 P23219 1/20 0.31
CD38 P28907 1/20 0.30
DHFR P00374 2/20 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
SCHEMBL4102174 0.94 NR1H2 (0.33) CRHR1NR1H2NR1H3F7F3
SCHEMBL4091530 0.93 MAP4K1 (0.38) CRHR1NR1H2NR1H3PTGESDHFR
SCHEMBL4096513 0.92 HRH4 (0.35) CRHR1NR1H2NR1H3TRPA1
SCHEMBL4098134 0.91 MAP4K1 (0.33) CRHR1NR1H2NR1H3
SCHEMBL4102485 0.90 CRHR1 (0.33) CRHR1TRPA1
SCHEMBL4101015 0.90 MAP4K1 (0.32)
SCHEMBL4098135 0.90 MAP4K1 (0.32)
SCHEMBL4097982 0.89 KDM4E (0.33) CRHR1KDM4E
SCHEMBL4105401 0.89 MAPT (0.34) CRHR1NR1H2NR1H3KDM4EDHFR
SCHEMBL4096474 0.88 MAP4K1 (0.31)

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.