SCHEMBL4097379

SCHEMBL4097379

CCN(c1nc(-c2c(F)cccc2OC)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.39
GPBAR1 Q8TDU6 6/20 0.35
PDE4B Q07343 1/20 0.34
CRHR1 P34998 5/20 0.33
LTC4S Q16873 1/20 0.32
DHFR P00374 2/20 0.32
CTSA P10619 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
SCHEMBL4095944 0.94 MAP4K1 (0.40) MAP4K1GPBAR1PDE4BCRHR1LTC4S
SCHEMBL4098322 0.92 MAP4K1 (0.40) MAP4K1GPBAR1PDE4BCRHR1DHFR
SCHEMBL4091530 0.92 MAP4K1 (0.38) MAP4K1GPBAR1PDE4BCRHR1DHFR
SCHEMBL4105401 0.86 MAPT (0.34) MAP4K1PDE4BCRHR1LTC4SDHFR
SCHEMBL4096513 0.85 HRH4 (0.35) MAP4K1CRHR1
SCHEMBL4101831 0.84 CRHR1 (0.38) MAP4K1CRHR1
SCHEMBL4107211 0.84 MAP4K1 (0.34) MAP4K1CRHR1
SCHEMBL4098134 0.84 MAP4K1 (0.33) MAP4K1CRHR1
SCHEMBL4096030 0.84 AURKA (0.36) MAP4K1PDE4BCRHR1
SCHEMBL4097982 0.84 KDM4E (0.33) MAP4K1CRHR1

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 MAP4K1 348/4885GPBAR1 291/4885PDE4B 1164/4885

“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.