SCHEMBL5117633

SCHEMBL5117633

Cc1sc2nc(-n3ccnc3)nc(NCc3ccc4c(c3)OCCO4)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
NOS2 P35228 13/20 0.49
NOS1 P29475 4/20 0.49
POLB P06746 1/20 0.47
RAD52 P43351 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRM4 P08173 3/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 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
SCHEMBL5120692 0.94 NOS2 (0.52) NOS2NOS1
SCHEMBL5124222 0.91 NOS2 (0.48) ALDH1A1MAPTNOS2NOS1CHRM4
SCHEMBL5128272 0.86 NOS2 (0.51) NOS2NOS1
SCHEMBL5128265 0.86 NOS2 (0.54) NOS2NOS1
SCHEMBL5121851 0.86 NOS2 (0.51) NOS2NOS1CHRM4
SCHEMBL5128127 0.85 NOS2 (0.49) ALDH1A1MAPTNOS2NOS1CHRM4
SCHEMBL5118579 0.85 KDM4E (0.44) ALDH1A1SMN1; SMN2CHRM4KDM4ELMNA
SCHEMBL5128714 0.85 ALDH1A1 (0.47) ALDH1A1MAPTPOLBRAD52SMN1; SMN2
SCHEMBL5114161 0.85 ALDH1A1 (0.47) ALDH1A1MAPTPOLBRAD52SMN1; SMN2
SCHEMBL5117638 0.85 ALDH1A1 (0.47) ALDH1A1MAPTPOLBRAD52SMN1; SMN2

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
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 CN 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
EP-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP 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 ALDH1A1 1055/4885MAPT 2997/4885NOS2 724/4885

“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.