SCHEMBL5120165

SCHEMBL5120165

Cc1sc2nc(-c3cccnc3)nc(NCCc3ccc4c(c3)OCO4)c2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GBA1 P04062 7/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE5A O76074 3/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL7615842 0.95 MAPT (0.45) MAPTNPSR1GBA1ALDH1A1HPGD
SCHEMBL5119382 0.92 MAPT (0.61) MAPTNPSR1GBA1ALDH1A1HPGD
SCHEMBL5119051 0.92 MAPT (0.52) MAPTNPSR1GBA1ALDH1A1SMN1; SMN2
SCHEMBL5124992 0.90 PRKCI (0.49) PDE5APRKCI
SCHEMBL7175091 0.89 MAPT (0.58) MAPTNPSR1GBA1ALDH1A1HPGD
SCHEMBL5123210 0.87 PDE5A (0.39) MAPTNPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5809738 0.87 PRKCI (0.46) PDE5APRKCI
SCHEMBL7613432 0.86 PRKCI (0.48) MAPTNPSR1GBA1ALDH1A1POLB
SCHEMBL5128699 0.86 MAPT (0.54) MAPTNPSR1GBA1ALDH1A1HPGD
SCHEMBL5114961 0.85 MAPT (0.52) MAPTNPSR1GBA1ALDH1A1HPGD

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 7 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-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 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 3053/4885GBA1 4788/4885

“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.