SCHEMBL5120260

SCHEMBL5120260

FC(F)(F)c1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3cccnc3)nc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2D6 P10635 4/20 0.46
TSHR P16473 4/20 0.46
CYP2C19 P33261 4/20 0.46
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP2C9 P11712 1/20 0.46
CLK4 Q9HAZ1 4/20 0.45
USP1 O94782 2/20 0.45
WDR48 Q8TAF3 2/20 0.45
POLB P06746 1/20 0.45
GBA1 P04062 2/20 0.45
PDE5A O76074 9/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL5128329 0.95 MAPT (0.66) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL7617081 0.92 MAPT (0.49) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL5122247 0.89 USP1 (0.46) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL5128668 0.88 MAPT (0.61) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL5129049 0.87 MAPT (0.61) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL5124037 0.87 MAPT (0.61) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL5123292 0.86 MAPT (0.55) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL5116070 0.86 USP1 (0.43) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL5127764 0.86 CLK4 (0.52) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL5118875 0.85 POLB (0.61) MAPTCYP1A2CYP3A4CYP2D6TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 MAPT 2997/4885NPSR1 3053/4885CYP1A2 739/4885

“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.