SCHEMBL5118875

SCHEMBL5118875

Fc1ccc(CNc2nc(-c3cccnc3)nc3sc(C(F)(F)F)cc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
PDE5A O76074 11/20 0.59
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2C19 P33261 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
USP2 O75604 1/20 0.52
GBA1 P04062 1/20 0.52
TP53 P04637 1/20 0.52
PTGS1 P23219 1/20 0.52
TBXAS1 P24557 1/20 0.52
PTGS2 P35354 1/20 0.52

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
SCHEMBL5114950 0.93 PDE5A (0.61) POLBPDE5AMEN1KMT2ALMNA
SCHEMBL5127764 0.89 CLK4 (0.52) POLBPDE5AMEN1KMT2ALMNA
SCHEMBL5115713 0.88 PRKCI (0.48) POLBPDE5AMEN1KMT2ALMNA
SCHEMBL5130261 0.86 MEN1 (0.52) POLBPDE5AMEN1KMT2ALMNA
SCHEMBL5128612 0.86 POLB (0.61) POLBPDE5AMEN1KMT2ALMNA
SCHEMBL5122989 0.86 POLB (0.64) POLBPDE5AMEN1KMT2ALMNA
SCHEMBL5129646 0.86 POLB (0.64) POLBPDE5AMEN1KMT2ALMNA
SCHEMBL5120260 0.85 MAPT (0.59) POLBPDE5AMEN1KMT2ALMNA
SCHEMBL5128329 0.85 MAPT (0.66) POLBPDE5AMEN1KMT2ALMNA
SCHEMBL5124010 0.84 KDM4E (0.44) POLBPDE5AMEN1KMT2ALMNA

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 POLB 1280/4885PDE5A 2002/4885MEN1 696/4885

“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.