SCHEMBL5118955

SCHEMBL5118955

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ APP P05067 2/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAP2K4 P45985 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL5814969 0.96 HTT (0.40) HTTATG4BPOLBALDH1A1CASP3
SCHEMBL5130872 0.89 PDE5A (0.52) HTTPOLBALDH1A1APPPDE5A
SCHEMBL5123684 0.87 USP1 (0.39) HTTALDH1A1APPPDE5AMEN1
SCHEMBL5128760 0.83 PDE5A (0.45) HTTPOLBALDH1A1PDE5AMEN1
SCHEMBL5123717 0.83 PDE5A (0.52) POLBALDH1A1APPPDE5AMEN1
SCHEMBL5815431 0.82 PTGS2 (0.43) POLBALDH1A1PDE5AMEN1KMT2A
SCHEMBL5118387 0.82 APP (0.45) APPPDE5AMEN1KMT2AMAPT
SCHEMBL5122665 0.82 PDE5A (0.46) ALDH1A1APPPDE5AMEN1KMT2A
SCHEMBL5128125 0.81 HTT (0.39) HTTATG4BPOLBALDH1A1CASP3
SCHEMBL5123255 0.81 PDE5A (0.54) ALDH1A1PDE5AMEN1KMT2AMAPT

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 10 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
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 — — EP 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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 — — US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 — — US disclosed
US-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 — — 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 HTT 3032/4885ATG4B 4336/4885POLB 1280/4885

“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.

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