SCHEMBL5129101

SCHEMBL5129101

Cc1csc2nc(-n3cccn3)nc(NCc3ccc4c(c3)OCO4)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MAPT P10636 7/20 0.46
TSHR P16473 6/20 0.46
NPSR1 Q6W5P4 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 3/20 0.42
USP2 O75604 2/20 0.42
ALOX15 P16050 1/20 0.42
PPP1CA P62136 1/20 0.42
PDE5A O76074 2/20 0.41
ESR1 P03372 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 2/20 0.41
EGFR P00533 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
SCHEMBL5128242 0.95 ALDH1A1 (0.42) ALDH1A1MAPTTSHRNPSR1MEN1
SCHEMBL5128237 0.91 BCDIN3D (0.41) ALDH1A1MAPTTSHRNPSR1MEN1
SCHEMBL5129318 0.86 ALDH1A1 (0.42) ALDH1A1MAPTTSHRNPSR1MEN1
SCHEMBL5121170 0.86 TSHR (0.44) ALDH1A1MAPTTSHRNPSR1MEN1
SCHEMBL5118016 0.85 NOS2 (0.52) ALDH1A1MAPTTSHRNPSR1MEN1
SCHEMBL5124435 0.84 CHRM4 (0.41) ALDH1A1MAPTTSHRNPSR1MEN1
SCHEMBL5115267 0.84 ALDH1A1 (0.44) ALDH1A1MAPTTSHRNPSR1MEN1
SCHEMBL5125399 0.83 ESR1 (0.48) ALDH1A1MAPTL3MBTL1ESR1GAA
SCHEMBL5123189 0.83 ESR1 (0.49) MAPTNPSR1L3MBTL1HTTTP53
SCHEMBL7619713 0.83 MAPT (0.44) ALDH1A1MAPTTSHRNPSR1MEN1

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 9 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
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 ALDH1A1 1055/4885MAPT 2997/4885TSHR 1050/4885

“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.