SCHEMBL5114974

SCHEMBL5114974

Fc1ccc(CNc2nc(-n3ccnc3)nc3sc(C(F)(F)F)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.49
TBXAS1 P24557 3/20 0.49
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 1/20 0.39

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
SCHEMBL5121395 0.91 PDE5A (0.61) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5125837 0.87 PDE5A (0.47) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5129257 0.86 PDE5A (0.49) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5115020 0.86 PDE5A (0.51) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5118460 0.86 PDE5A (0.53) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5124427 0.85 PDE5A (0.47) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5128952 0.84 NOS2 (0.47) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5120597 0.84 NOS2 (0.46) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5130913 0.84 KDM4E (0.44) USP1WDR48
SCHEMBL5129237 0.84 USP1 (0.41) USP1WDR48

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 9 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
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 PDE5A 2002/4885TBXAS1 70/4885PDE3B 1604/4885

“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.