SCHEMBL5120597

SCHEMBL5120597

FC(F)(F)c1cc2c(NCc3ccc4c(c3)OCCO4)nc(-n3ccnc3)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 10/20 0.46
NOS1 P29475 4/20 0.46
PDE5A O76074 9/20 0.42
TBXAS1 P24557 2/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40

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
SCHEMBL5128952 0.95 NOS2 (0.47) NOS2NOS1PDE5ATBXAS1PDE3B
SCHEMBL5123228 0.88 NOS2 (0.49) NOS2NOS1PDE5ATBXAS1PDE3B
SCHEMBL5124771 0.86 NOS2 (0.48) NOS2NOS1PDE5ATBXAS1PDE3B
SCHEMBL5123224 0.86 NOS2 (0.50) NOS2NOS1PDE5ATBXAS1PDE3B
SCHEMBL5118565 0.86 NOS2 (0.49) NOS2NOS1PDE5A
SCHEMBL5119784 0.86 USP1 (0.40) PDE5AUSP1WDR48
SCHEMBL5125837 0.85 PDE5A (0.47) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5129067 0.85 USP1 (0.43) PDE5AUSP1WDR48
SCHEMBL5114974 0.84 PDE5A (0.49) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL5118611 0.84 CHRM4 (0.40) PDE5AUSP1WDR48

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 NOS2 724/4885NOS1 1006/4885PDE5A 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.