SCHEMBL5118824

SCHEMBL5118824

Cc1csc2nc(Cl)nc(NCc3cccc([N+](=O)[O-])c3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.59
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PDE5A O76074 2/20 0.45
KCNN3 Q9UGI6 1/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
EGFR P00533 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 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
SCHEMBL5815650 0.96 ESR1 (0.55) ESR1MEN1MAPTKMT2APDE4A
SCHEMBL5123402 0.84 PDE5A (0.54) ESR1MEN1MAPTKMT2APDE4A
SCHEMBL5120899 0.84 MAPT (0.47) ESR1MEN1MAPTKMT2APDE4A
SCHEMBL5122946 0.84 MEN1 (0.47) ESR1MEN1MAPTKMT2APDE4A
SCHEMBL5129818 0.82 PDE5A (0.47) MEN1MAPTKMT2APDE4APDE4B
SCHEMBL5120313 0.81 PDE5A (0.56) MEN1MAPTKMT2APDE4APDE4B
SCHEMBL5122349 0.81 PDE5A (0.44) ESR1MEN1MAPTKMT2APDE4A
SCHEMBL8171257 0.81 PDE5A (0.53) ESR1MEN1MAPTKMT2APDE4A
SCHEMBL5128850 0.81 MEN1 (0.44) ESR1MEN1MAPTKMT2APDE4A
SCHEMBL5129580 0.81 PDE5A (0.56) MEN1MAPTKMT2APDE4APDE4B

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 12 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
CN-1081638-C Thienopyrimidine compounds MERCK PATENT GMBH (DE) 2002-03-27 CN 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
CN-1227560-A Thienopyrimidines MERCK PATENT GMBH (DE) 1999-09-01 CN disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 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 ESR1 2256/4885MEN1 696/4885MAPT 2997/4885

“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.