SCHEMBL5130002

SCHEMBL5130002

Cc1cc2c(NCCc3ccccc3)nc(-c3ccncc3)nc2s1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
MAPK1 P28482 1/20 0.64
PRKCI P41743 9/20 0.54
PDE5A O76074 4/20 0.53
GBA1 P04062 3/20 0.49
SLC6A3 Q01959 1/20 0.48
PTGS1 P23219 1/20 0.48
TBXAS1 P24557 1/20 0.48
PTGS2 P35354 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL5113677 0.89 PDE5A (0.62) KDM4EMAPK1PRKCIPDE5AGBA1
SCHEMBL5121366 0.88 GBA1 (0.66) KDM4EMAPK1PDE5AGBA1PTGS1
SCHEMBL5120106 0.87 PRKCI (0.73) KDM4EMAPK1PRKCIPDE5AGBA1
SCHEMBL5117543 0.87 KDM4E (0.64) KDM4EMAPK1PRKCIPDE5AGBA1
SCHEMBL8169995 0.86 PDE5A (0.50) KDM4EMAPK1PRKCIPDE5ASLC6A3
SCHEMBL5123744 0.84 KDM4E (0.60) KDM4EMAPK1PRKCIPDE5AGBA1
SCHEMBL5125720 0.83 METAP1 (0.65) KDM4EMAPK1PDE5AGBA1ADORA2A
SCHEMBL8184676 0.83 PDE5A (0.47) KDM4EMAPK1PDE5ASLC6A3
SCHEMBL5118039 0.83 ADORA2A (0.51) KDM4EMAPK1PDE5AGBA1ADORA2A
SCHEMBL31045059 0.83 FLT3 (0.49) KDM4EMAPK1PRKCIPDE5AGBA1

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 KDM4E 257/4885MAPK1 899/4885PRKCI 1513/4885

“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.