SCHEMBL5114950

SCHEMBL5114950

FC(F)(F)c1cc2c(NCc3ccccc3)nc(-c3cccnc3)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.61
CYP1A2 P05177 5/20 0.61
CYP3A4 P08684 5/20 0.61
CYP2D6 P10635 5/20 0.61
CYP2C19 P33261 5/20 0.61
ALDH1A1 P00352 4/20 0.61
TSHR P16473 3/20 0.61
MAPK1 P28482 3/20 0.61
HSD17B10 Q99714 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
USP2 O75604 3/20 0.61
CLK4 Q9HAZ1 2/20 0.61
LMNA P02545 2/20 0.61
GBA1 P04062 1/20 0.61
TP53 P04637 1/20 0.61
PTGS1 P23219 1/20 0.61
TBXAS1 P24557 1/20 0.61
PTGS2 P35354 1/20 0.61
POLB P06746 2/20 0.57

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
SCHEMBL5118875 0.93 POLB (0.61) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5118547 0.90 GBA1 (0.62) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5121710 0.89 PDE5A (0.59) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5127764 0.88 CLK4 (0.52) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5130938 0.86 PDE5A (0.59) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5130261 0.85 MEN1 (0.52) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5122873 0.85 ADORA2A (0.50) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5128029 0.84 PDE5A (0.62) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5128329 0.84 MAPT (0.66) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5120260 0.84 MAPT (0.59) PDE5ACYP1A2CYP3A4CYP2D6CYP2C19

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 PDE5A 2002/4885CYP1A2 739/4885CYP3A4 2293/4885

“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.