SCHEMBL5117543

SCHEMBL5117543

Clc1cc2c(NCCc3ccccc3)nc(-c3ccncc3)nc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
MAPK1 P28482 1/20 0.64
PDE5A O76074 4/20 0.53
PRKCI P41743 8/20 0.52
GBA1 P04062 3/20 0.49
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
SLC6A3 Q01959 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
APP P05067 1/20 0.45
JAK2 O60674 1/20 0.43
METAP1 P53582 1/20 0.43
PPP1CA P62136 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5125553 0.89 PDE5A (0.62) KDM4EMAPK1PDE5APRKCIGBA1
SCHEMBL5121842 0.88 GBA1 (0.66) KDM4EMAPK1PDE5AGBA1PTGS1
SCHEMBL5130002 0.87 KDM4E (0.64) KDM4EMAPK1PDE5APRKCIGBA1
SCHEMBL8184884 0.86 PDE5A (0.50) KDM4EMAPK1PDE5APRKCIGBA1
SCHEMBL5120106 0.85 PRKCI (0.73) KDM4EMAPK1PDE5APRKCIGBA1
SCHEMBL5813837 0.84 PRKCI (0.66) KDM4EMAPK1PDE5APRKCIGBA1
SCHEMBL5123744 0.84 KDM4E (0.60) KDM4EMAPK1PDE5APRKCIGBA1
SCHEMBL5128041 0.83 METAP1 (0.65) KDM4EMAPK1PDE5AGBA1ADORA2A
SCHEMBL5122201 0.83 ADORA2A (0.51) KDM4EMAPK1PDE5AGBA1ADORA2A
SCHEMBL8180529 0.83 PDE5A (0.47) KDM4EMAPK1PDE5APRKCISLC6A3

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 899/4885PDE5A 2002/4885

“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.