SCHEMBL5121900

SCHEMBL5121900

COc1ccc(CNc2nc(-c3ccncc3)nc3sc(C)c(C)c23)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 11/20 0.60
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL5121765 0.91 PRKCI (0.57) PRKCIMEN1KMT2AKDM4EALDH1A1
SCHEMBL5121979 0.90 MEN1 (0.49) PRKCIMEN1KMT2ATNFNOD1
SCHEMBL5130058 0.89 KMT2A (0.50) PRKCIMEN1KMT2AKDM4EALDH1A1
SCHEMBL5813871 0.87 MEN1 (0.46) PRKCIMEN1KMT2AALDH1A1TNF
SCHEMBL8171004 0.87 MEN1 (0.48) PRKCIMEN1KMT2AKDM4EALDH1A1
SCHEMBL8170450 0.87 MEN1 (0.50) PRKCIMEN1KMT2AKDM4EALDH1A1
SCHEMBL5119865 0.85 MEN1 (0.52) PRKCIMEN1KMT2AKDM4EALDH1A1
SCHEMBL5128670 0.85 SMN1; SMN2 (0.44) PRKCIMEN1KMT2AKDM4EALDH1A1
SCHEMBL7174986 0.84 ALDH1A1 (0.52) PRKCIMEN1KMT2AKDM4EALDH1A1
SCHEMBL5121254 0.84 PRKCI (0.62) PRKCIKDM4EALDH1A1LMNAGAA

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 6 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-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 1513/4885MEN1 696/4885KMT2A 388/4885

“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.