SCHEMBL5124186

SCHEMBL5124186

Cc1sc2nc(-n3ccnc3C)nc(NCCc3ccc4c(c3)OCO4)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
BCDIN3D Q7Z5W3 1/20 0.39
NOS2 P35228 3/20 0.39
PDE5A O76074 1/20 0.39
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
FLT1 P17948 3/20 0.37
KDR P35968 3/20 0.37
NOS1 P29475 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKCI P41743 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
SCHEMBL5122439 0.92 PDE5A (0.39) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL5121556 0.91 PDE5A (0.41) SMN1; SMN2LMNAALDH1A1MAPTPDE5A
SCHEMBL5777963 0.87 KDM4E (0.46) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL5122226 0.86 BCDIN3D (0.39) SMN1; SMN2HTTALDH1A1MAPTBCDIN3D
SCHEMBL5114161 0.86 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1MAPTPDE5A
SCHEMBL5128265 0.85 NOS2 (0.54) NOS2NOS1
SCHEMBL5130564 0.85 BCDIN3D (0.43) SMN1; SMN2ALDH1A1BCDIN3DNOS2PDE5A
SCHEMBL5128236 0.84 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL5123608 0.84 BCDIN3D (0.42) ALDH1A1BCDIN3DNOS2PDE5AFLT1
SCHEMBL5124067 0.84 BCDIN3D (0.42) SMN1; SMN2LMNAALDH1A1BCDIN3DNOS2

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 SMN1; SMN2 3222/4885LMNA 3799/4885HTT 3032/4885

“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.