SCHEMBL5114961

SCHEMBL5114961

Cc1csc2nc(-c3cccnc3)nc(NCCc3ccc4c(c3)OCO4)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GBA1 P04062 8/20 0.45
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE5A O76074 3/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PTGDR Q13258 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
SCHEMBL7609421 0.95 MAPT (0.46) MAPTNPSR1GBA1CYP1A2CYP3A4
SCHEMBL5123771 0.91 MAPT (0.63) MAPTNPSR1GBA1CYP1A2CYP3A4
SCHEMBL5122824 0.90 PRKCI (0.46) PDE5A
SCHEMBL7517415 0.87 MAPT (0.58) MAPTNPSR1GBA1CYP1A2CYP3A4
SCHEMBL5128338 0.86 BCDIN3D (0.39) MAPTNPSR1KDM4ETSHRPDE5A
SCHEMBL5119051 0.86 MAPT (0.52) MAPTNPSR1GBA1CYP1A2CYP3A4
SCHEMBL5129949 0.86 MAPT (0.56) MAPTNPSR1GBA1CYP1A2CYP3A4
SCHEMBL7614456 0.85 PRKCI (0.44)
SCHEMBL5120165 0.85 MAPT (0.51) MAPTNPSR1GBA1CYP1A2CYP3A4
SCHEMBL5119891 0.83 METAP1 (0.44) MAPTKDM4EPDE5ANPC1TP53

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 8 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-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 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.