SCHEMBL5115713

SCHEMBL5115713

Fc1ccc(CNc2nc(-c3ccncc3)nc3sc(C(F)(F)F)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 7/20 0.48
USP1 O94782 2/20 0.48
WDR48 Q8TAF3 2/20 0.48
PDE5A O76074 5/20 0.47
PTGS2 P35354 3/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGS1 P23219 1/20 0.47
TBXAS1 P24557 1/20 0.47
POLB P06746 1/20 0.44
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LATS1 O95835 1/20 0.41
LATS2 Q9NRM7 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
SCHEMBL5121710 0.91 PDE5A (0.59) PRKCIUSP1WDR48PDE5APTGS2
SCHEMBL5118875 0.88 POLB (0.61) USP1WDR48PDE5APTGS2MEN1
SCHEMBL5129584 0.88 USP1 (0.49) PRKCIUSP1WDR48PDE5APTGS2
SCHEMBL8178620 0.85 LMNA (0.47) USP1WDR48PTGS2MEN1LMNA
SCHEMBL5118831 0.85 MEN1 (0.53) PRKCIUSP1WDR48MEN1MAPT
SCHEMBL5125278 0.85 PRKCI (0.68) PRKCIPDE5APTGS2MEN1LMNA
SCHEMBL5123659 0.84 PDE5A (0.49) PRKCIUSP1WDR48PDE5APTGS2
SCHEMBL5129501 0.84 PRKCI (0.50) PRKCIUSP1WDR48PDE5APTGS2
SCHEMBL5129315 0.84 USP1 (0.52) PRKCIUSP1WDR48PDE5AMEN1
SCHEMBL5122247 0.84 USP1 (0.46) PRKCIUSP1WDR48PDE5APTGS2

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 4 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

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 PRKCI 1513/4885USP1 2251/4885WDR48 1634/4885

“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.