SCHEMBL5115296

SCHEMBL5115296

COc1ccc(CNc2nc(-n3ccnc3C)nc3sc([N+](=O)[O-])cc23)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APP P05067 4/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.38
ACHE P22303 5/20 0.38
BCHE P06276 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37

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
SCHEMBL7616005 0.93 PDE5A (0.46)
SCHEMBL5117009 0.87 RAB9A (0.48) TNFNOD1RXFP1MAPTAPP
SCHEMBL5120277 0.86 RAB9A (0.36) ALDH1A1RAB9A
SCHEMBL5128625 0.86 PDE5A (0.44) MAPTALDH1A1MEN1KMT2A
SCHEMBL5128720 0.86 HTT (0.38) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5124878 0.86 PDE5A (0.45) MAPTALDH1A1MEN1KMT2A
SCHEMBL5128294 0.85 TNF (0.43) TNFNOD1RXFP1MAPTAPP
SCHEMBL5122618 0.85 PDE5A (0.49) MAPTALDH1A1LMNACASP7CASP6
SCHEMBL5118991 0.84 TNF (0.43) TNFNOD1RXFP1MAPTAPP
SCHEMBL5128133 0.84 MEN1 (0.42) TNFNOD1MAPTALDH1A1LMNA

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 1451/4885RXFP1 1200/4885

“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.