SCHEMBL5114007

SCHEMBL5114007

Cc1sc2nc(-c3cnccn3)nc(NCCc3ccc4c(c3)OCO4)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
BCDIN3D Q7Z5W3 1/20 0.39
PDE5A O76074 1/20 0.39
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7622357 0.95 ALDH1A1 (0.46) PRKCISMN1; SMN2LMNAHTTALDH1A1
SCHEMBL5123210 0.92 PDE5A (0.39) PRKCISMN1; SMN2LMNAHTTALDH1A1
SCHEMBL5120075 0.91 MAPT (0.45) PRKCISMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL5127817 0.89 METAP1 (0.44) PRKCISMN1; SMN2LMNAHTTALDH1A1
SCHEMBL5809740 0.89 PDE5A (0.37) PRKCISMN1; SMN2LMNAHTTALDH1A1
SCHEMBL7509747 0.87 MAPT (0.42) PRKCISMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL7614393 0.86 ALDH1A1 (0.36) PRKCISMN1; SMN2LMNAHTTALDH1A1
SCHEMBL5119051 0.86 MAPT (0.52) PRKCISMN1; SMN2LMNAHTTALDH1A1
SCHEMBL5128338 0.86 BCDIN3D (0.39) SMN1; SMN2HTTALDH1A1MAPTBCDIN3D
SCHEMBL5114901 0.86 ALDH1A1 (0.47) PRKCISMN1; SMN2LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954133-A2 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION (US) 2008-08-13 EP claimed
WO-2007065093-A2 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION (US) 2007-06-07 WO claimed
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 PRKCI 1513/4885SMN1; SMN2 3222/4885LMNA 3799/4885

“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.