SCHEMBL5125547

SCHEMBL5125547

FC(F)(F)c1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3ccno3)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.42
KDR P35968 2/20 0.42
USP1 O94782 2/20 0.42
WDR48 Q8TAF3 2/20 0.42
FAAH O00519 5/20 0.40
BCDIN3D Q7Z5W3 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
PDE5A O76074 1/20 0.37
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL7611610 0.95 FLT1 (0.37) FLT1KDRUSP1WDR48FAAH
SCHEMBL5121134 0.91 USP1 (0.51) USP1WDR48PDE5AMAPTNPSR1
SCHEMBL5115111 0.89 PRKCI (0.46) FLT1KDRUSP1WDR48FAAH
SCHEMBL5129031 0.88 BCDIN3D (0.42) FLT1KDRUSP1WDR48FAAH
SCHEMBL5128694 0.88 BCDIN3D (0.40) FLT1KDRUSP1WDR48FAAH
SCHEMBL5120472 0.87 PRKCI (0.48) FLT1KDRUSP1WDR48FAAH
SCHEMBL5115557 0.86 USP1 (0.45) KDRUSP1WDR48PDE5AMAPT
SCHEMBL5116027 0.84 USP1 (0.47) FLT1KDRUSP1WDR48BCDIN3D
SCHEMBL5123231 0.84 PDE5A (0.41) PDE5AMAPT
SCHEMBL5123292 0.84 MAPT (0.55) FLT1KDRUSP1WDR48BCDIN3D

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 6 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
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 FLT1 18/4885KDR 34/4885USP1 2251/4885

“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.