SCHEMBL4096321

SCHEMBL4096321

CCN(c1nc(-c2c(OC)cccc2[S+](C)[O-])c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.31
MAPT P10636 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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) DHFRMAPTNR1H2NR1H3MAP4K1
SCHEMBL4091530 0.88 MAP4K1 (0.38) DHFRMAPTNR1H2NR1H3MAP4K1
SCHEMBL4109802 0.86 CRHR1 (0.34) DHFRMAPTMAP4K1
SCHEMBL4098013 0.85 ALPL (0.33) MAPTMAP4K1
SCHEMBL4106287 0.84 SMN1; SMN2 (0.35) DHFRMAPT
SCHEMBL4097547 0.84 CRHR1 (0.33) DHFRMAP4K1
SCHEMBL4101972 0.82 CRHR1 (0.33) DHFRNR1H2NR1H3
SCHEMBL4096513 0.82 HRH4 (0.35) NR1H2NR1H3MAP4K1
SCHEMBL4095944 0.81 MAP4K1 (0.40) DHFRMAP4K1
SCHEMBL4098134 0.81 MAP4K1 (0.33) NR1H2NR1H3MAP4K1

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 DHFR 1568/4885MAPT 3587/4885NR1H2 389/4885

“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.