SCHEMBL5129095

SCHEMBL5129095

FC(F)(F)c1cc2c(NCc3ccccc3)nc(Cl)nc2s1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.54
PDE5A O76074 1/20 0.54
ESR1 P03372 4/20 0.48
USP1 O94782 5/20 0.46
WDR48 Q8TAF3 5/20 0.46
ICAM1 P05362 1/20 0.44
SELE P16581 1/20 0.44
VCAM1 P19320 1/20 0.44
EGFR P00533 1/20 0.43
PDE2A O00408 1/20 0.42
CCNE2 O96020 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CDK1 P06493 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
SCHEMBL5129639 0.89 USP1 (0.45) APPPDE5AESR1USP1WDR48
SCHEMBL5127810 0.86 USP1 (0.50) APPPDE5AESR1USP1WDR48
SCHEMBL5129285 0.83 APP (0.61) APPPDE5AESR1ICAM1SELE
SCHEMBL5121621 0.83 PDE5A (0.48) PDE5AEGFR
SCHEMBL5114669 0.81 ICAM1 (0.66) APPPDE5AESR1ICAM1SELE
SCHEMBL5120111 0.81 ACHE (0.47) APPPDE5A
SCHEMBL7013493 0.81 APP (0.58) APPPDE5AESR1ICAM1SELE
SCHEMBL5121710 0.81 PDE5A (0.59) PDE5AUSP1WDR48
SCHEMBL5118687 0.80 USP1 (0.52) PDE5AUSP1WDR48
SCHEMBL5122246 0.80 USP1 (0.45) PDE5AUSP1WDR48EGFRPDE2A

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 11 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-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 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 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.