SCHEMBL4098013

SCHEMBL4098013

CCN(c1nc(-c2c(OC)cccc2S(C)(=O)=O)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.33
MAPT P10636 4/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
GPBAR1 Q8TDU6 3/20 0.31
KDM4E B2RXH2 1/20 0.30
CRHR1 P34998 1/20 0.30
PPARG P37231 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MAP4K1 Q92918 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
SCHEMBL4105401 0.91 MAPT (0.34) MAPTKDM4ECRHR1MAP4K1
SCHEMBL4091530 0.88 MAP4K1 (0.38) MAPTGPBAR1CRHR1MAP4K1
SCHEMBL4096321 0.85 DHFR (0.31) MAPTMAP4K1
SCHEMBL4106287 0.84 SMN1; SMN2 (0.35) MAPTGPBAR1KDM4ECRHR1
SCHEMBL4097547 0.84 CRHR1 (0.33) HCRTR1HCRTR2KDM4ECRHR1MAP4K1
SCHEMBL4100984 0.82 AURKA (0.32) GPBAR1MAP4K1
SCHEMBL4101972 0.82 CRHR1 (0.33) KDM4ECRHR1
SCHEMBL4096513 0.82 HRH4 (0.35) CRHR1MAP4K1
SCHEMBL4098134 0.81 MAP4K1 (0.33) CRHR1MAP4K1
SCHEMBL4097982 0.81 KDM4E (0.33) MAPTKDM4ECRHR1MAP4K1

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 ALPL 4770/4885MAPT 3587/4885HCRTR1 46/4885

“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.