SCHEMBL5114314

SCHEMBL5114314

COc1ccc(CNc2nc(-n3cccn3)nc3sc(Cl)cc23)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
APP P05067 7/20 0.45
ACHE P22303 8/20 0.43
BCHE P06276 5/20 0.43
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
STAT1 P42224 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE5A O76074 1/20 0.40

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
SCHEMBL5124395 0.94 BCDIN3D (0.45) PDE5A
SCHEMBL5121665 0.90 NPC1 (0.46) MEN1KMT2AAPPACHEBCHE
SCHEMBL5130525 0.88 MEN1 (0.45) MEN1KMT2AAPPACHEBCHE
SCHEMBL5130301 0.86 ACHE (0.43) MEN1KMT2AAPPACHEBCHE
SCHEMBL5116266 0.86 TNF (0.45) MEN1KMT2AAPPACHEBCHE
SCHEMBL5116046 0.85 USP1 (0.41) PDE5A
SCHEMBL5118404 0.85 BCDIN3D (0.44) PDE5A
SCHEMBL5128133 0.85 MEN1 (0.42) MEN1KMT2AAPPACHEBCHE
SCHEMBL5123682 0.84 HRH4 (0.41) MEN1KMT2AAPPLMNAMAPT
SCHEMBL5129478 0.84 PDE5A (0.45) APPMAPTPDE5A

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 MEN1 696/4885KMT2A 388/4885APP 4123/4885

“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.