SCHEMBL5129285

SCHEMBL5129285

Clc1nc(NCc2ccccc2)c2cc(Cl)sc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.61
PDE5A O76074 2/20 0.61
ESR1 P03372 5/20 0.53
EGFR P00533 1/20 0.47
RAD52 P43351 1/20 0.46
CDK1 P06493 2/20 0.45
ICAM1 P05362 1/20 0.45
SELE P16581 1/20 0.45
VCAM1 P19320 1/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
UBE2N P61088 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RCE1 Q9Y256 1/20 0.44
MEN1 O00255 1/20 0.43
GBA1 P04062 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
SCHEMBL7013493 0.86 APP (0.58) APPPDE5AESR1EGFRRAD52
SCHEMBL5118387 0.86 APP (0.45) APPPDE5AESR1KMT2ALMNA
SCHEMBL5114669 0.84 ICAM1 (0.66) APPPDE5AESR1EGFRCDK1
SCHEMBL5130194 0.84 USP1 (0.44) APPPDE5AESR1ALDH1A1
SCHEMBL5129095 0.83 APP (0.54) APPPDE5AESR1EGFRCDK1
SCHEMBL5125553 0.81 PDE5A (0.62) PDE5AKMT2AKDM4EALDH1A1LMNA
SCHEMBL5130872 0.81 PDE5A (0.52) APPPDE5AESR1EGFRKMT2A
SCHEMBL5123122 0.81 PDE5A (0.53) APPPDE5AEGFRKMT2AKDM4E
SCHEMBL5116097 0.80 KMT2A (0.63) PDE5AICAM1SELEVCAM1KMT2A
SCHEMBL7425485 0.80 PDE5A (0.64) APPPDE5AESR1EGFRRAD52

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
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-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO 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 APP 4123/4885PDE5A 2002/4885ESR1 2256/4885

“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.