SCHEMBL5116088

SCHEMBL5116088

Cc1sc2nc(-c3cccnc3)nc(NCc3ccc4c(c3)OCCO4)c2c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GBA1 P04062 1/20 0.46
PRKCI P41743 3/20 0.45
CLK4 Q9HAZ1 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL5813927 0.95 MAPT (0.51) MAPTNPSR1ALDH1A1SMN1; SMN2GBA1
SCHEMBL5129112 0.95 MAPT (0.63) MAPTNPSR1ALDH1A1SMN1; SMN2GBA1
SCHEMBL5128699 0.91 MAPT (0.54) MAPTNPSR1ALDH1A1SMN1; SMN2GBA1
SCHEMBL7613432 0.91 PRKCI (0.48) MAPTNPSR1ALDH1A1SMN1; SMN2GBA1
SCHEMBL7171883 0.90 MAPT (0.58) MAPTNPSR1ALDH1A1SMN1; SMN2GBA1
SCHEMBL5123014 0.89 PRKCI (0.58) MAPTNPSR1ALDH1A1SMN1; SMN2PRKCI
SCHEMBL7171668 0.88 MAPT (0.51) MAPTNPSR1ALDH1A1SMN1; SMN2GBA1
SCHEMBL5119382 0.86 MAPT (0.61) MAPTNPSR1ALDH1A1SMN1; SMN2GBA1
SCHEMBL5119051 0.86 MAPT (0.52) MAPTNPSR1ALDH1A1SMN1; SMN2GBA1
SCHEMBL5114901 0.86 ALDH1A1 (0.47) MAPTNPSR1ALDH1A1SMN1; SMN2PRKCI

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
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO 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 3053/4885ALDH1A1 1055/4885

“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.