SCHEMBL5118831

SCHEMBL5118831

COc1ccc(CNc2nc(-c3ccncc3)nc3sc(C(F)(F)F)cc23)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PRKCI P41743 5/20 0.46
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
APP P05067 3/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
ABCB1 P08183 2/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
PGK1 P00558 1/20 0.41
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL5122271 0.92 PDE5A (0.47) MEN1KMT2APRKCIABCB1ABCG2
SCHEMBL5130261 0.89 MEN1 (0.52) MEN1KMT2AABCB1ABCG2USP1
SCHEMBL8180396 0.87 MEN1 (0.52) MEN1KMT2ABCHEACHEAPP
SCHEMBL8169994 0.87 MEN1 (0.50) MEN1KMT2ABCHEACHEAPP
SCHEMBL5125267 0.87 PRKCI (0.62) MEN1KMT2APRKCIBCHEACHE
SCHEMBL5120390 0.86 MEN1 (0.57) MEN1KMT2APRKCIBCHEACHE
SCHEMBL5123250 0.85 MEN1 (0.43) MEN1KMT2ABCHEACHEAPP
SCHEMBL5128675 0.85 MEN1 (0.56) MEN1KMT2APRKCIBCHEACHE
SCHEMBL5122390 0.85 MEN1 (0.45) MEN1KMT2ABCHEACHEAPP
SCHEMBL5115713 0.85 PRKCI (0.48) MEN1KMT2APRKCIUSP1WDR48

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 2 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-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 MEN1 696/4885KMT2A 388/4885PRKCI 1513/4885

“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.