SCHEMBL5115759

SCHEMBL5115759

Cc1sc2nc(-n3cccn3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
PRKCI P41743 3/20 0.37
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.35
ADORA2A P29274 1/20 0.35
PLA2G1B P04054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
CHRM4 P08173 1/20 0.34

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
SCHEMBL5116164 0.92 ADORA2A (0.35) GAARXFP1ALDH1A1KDM4ELMNA
SCHEMBL5121953 0.90 BCDIN3D (0.43) GAARXFP1ALDH1A1KDM4ELMNA
SCHEMBL5121225 0.86 GAA (0.47) GAARXFP1ALDH1A1KDM4ELMNA
SCHEMBL5118379 0.86 ALDH1A1 (0.48) GAARXFP1ALDH1A1KDM4ELMNA
SCHEMBL5128714 0.85 ALDH1A1 (0.47) GAARXFP1ALDH1A1KDM4ELMNA
SCHEMBL5130737 0.85 BCHE (0.41) GAARXFP1ALDH1A1KDM4ELMNA
SCHEMBL5125399 0.85 ESR1 (0.48) GAAALDH1A1
SCHEMBL5115157 0.85 ADORA2A (0.42) GAARXFP1ALDH1A1KDM4ELMNA
SCHEMBL5118579 0.83 KDM4E (0.44) GAARXFP1ALDH1A1KDM4ELMNA
SCHEMBL5119057 0.83 USP1 (0.40) GAA

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-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
EP-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 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-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 GAA 3377/4885RXFP1 1200/4885ALDH1A1 1055/4885

“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.