SCHEMBL5117435

SCHEMBL5117435

Clc1cc2c(NCc3ccc4c(c3)OCO4)nc(-n3cccn3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
USP1 O94782 1/20 0.43
WDR48 Q8TAF3 1/20 0.43
PDE5A O76074 6/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDE2A O00408 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
MAPK1 P28482 4/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 2/20 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
SCHEMBL5121505 0.94 CHRM4 (0.39) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL5122412 0.91 BCDIN3D (0.43) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL7619713 0.89 MAPT (0.44) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL5123207 0.88 MAPT (0.43) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL5115086 0.87 USP1 (0.49) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL5122850 0.86 PDE5A (0.45) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL5115746 0.85 PDE5A (0.43) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL5116046 0.85 USP1 (0.41) USP1WDR48PDE5ACLK4
SCHEMBL5115231 0.84 NOS2 (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL5123682 0.84 HRH4 (0.41) MAPTNPSR1MEN1KMT2AUSP1

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 MAPT 2997/4885NPSR1 3053/4885PDE4A 1952/4885

“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.