SCHEMBL5127718

SCHEMBL5127718

COc1ccc(CNc2nc(-n3cncn3)nc3sc(C(F)(F)F)cc23)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ACHE P22303 6/20 0.42
BCHE P06276 4/20 0.42
APP P05067 5/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE5A O76074 1/20 0.39
STAT1 P42224 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5128160 0.92 PDE5A (0.45) PDE5A
SCHEMBL5119569 0.87 TNF (0.44) TNFNOD1ACHEBCHEAPP
SCHEMBL5125177 0.87 NPC1 (0.49) TNFNOD1ACHEBCHEAPP
SCHEMBL5130301 0.87 ACHE (0.43) TNFNOD1ACHEBCHEAPP
SCHEMBL5116266 0.86 TNF (0.45) TNFNOD1ACHEBCHEAPP
SCHEMBL5124427 0.86 PDE5A (0.47) TNFNOD1ACHEBCHEAPP
SCHEMBL5130913 0.85 KDM4E (0.44) APPMEN1KMT2A
SCHEMBL5119829 0.84 USP1 (0.43)
SCHEMBL5123344 0.84 EGFR (0.42) MEN1KMT2APDE5AALDH1A1
SCHEMBL5129978 0.82 TNF (0.41) TNFNOD1ACHEBCHEAPP

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 6 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
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO 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 TNF 2769/4885NOD1 1451/4885ACHE 3921/4885

“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.