SCHEMBL5124320

SCHEMBL5124320

O=[N+]([O-])c1cc2c(NCc3ccc(F)cc3)nc(-n3cccn3)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.40
HTT P42858 2/20 0.38
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ABL1 P00519 1/20 0.36
FYN P06241 1/20 0.36
SRC P12931 1/20 0.36
FLT3 P36888 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
APP P05067 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 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
SCHEMBL5122008 0.92 PDE5A (0.47) PDE5AMAPTMEN1KMT2AALDH1A1
SCHEMBL5123475 0.88 USP1 (0.37) PDE5A
SCHEMBL5130387 0.87 PDE5A (0.48) PDE5AMAPTMEN1KMT2AALDH1A1
SCHEMBL5121860 0.87 HTT (0.40) PDE5AHTTMAPTL3MBTL1MAPK1
SCHEMBL5128133 0.86 MEN1 (0.42) MAPTMEN1KMT2ALMNAAPP
SCHEMBL5129290 0.85 MEN1 (0.40) PDE5AMAPTMAPK1NPSR1MEN1
SCHEMBL5115746 0.85 PDE5A (0.43) PDE5AHTTMAPTL3MBTL1MAPK1
SCHEMBL5117613 0.85 PDE5A (0.55) PDE5AHTTATG4B
SCHEMBL5122244 0.84 PDE5A (0.46) PDE5A
SCHEMBL5127962 0.83 FLT3 (0.40) HTTMAPTL3MBTL1MAPK1NPSR1

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 5 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
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 2002/4885HTT 3032/4885MAPT 2997/4885

“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.