SCHEMBL5118575

SCHEMBL5118575

Cc1csc2nc(-c3ccno3)nc(NCCc3ccc4c(c3)OCO4)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.39
BCDIN3D Q7Z5W3 1/20 0.38
FLT1 P17948 2/20 0.38
KDR P35968 2/20 0.38
PDE5A O76074 1/20 0.38
CNR2 P34972 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.35

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
SCHEMBL7518212 0.95 FAAH (0.38) FAAHBCDIN3DFLT1KDRPDE5A
SCHEMBL7618896 0.95 LMNA (0.38) FAAHBCDIN3DFLT1KDRCNR2
SCHEMBL5116156 0.91 ALDH1A1 (0.43) PDE5AKMT2AMEN1ALDH1A1TP53
SCHEMBL5122824 0.86 PRKCI (0.46) BCDIN3DPDE5ACNR2
SCHEMBL5130160 0.86 PRKCI (0.43) FAAHBCDIN3DFLT1KDRPDE5A
SCHEMBL5125583 0.85 ESR1 (0.42) PDE5AKMT2AMEN1ALDH1A1TP53
SCHEMBL5119049 0.84 PDE5A (0.39) FAAHBCDIN3DFLT1KDRPDE5A
SCHEMBL5119891 0.83 METAP1 (0.44) BCDIN3DPDE5AADORA2AADORA1KMT2A
SCHEMBL5129364 0.83 HTT (0.43) PDE5AKMT2AHTTTDP1L3MBTL1
SCHEMBL5129031 0.83 BCDIN3D (0.42) FAAHBCDIN3DFLT1KDRPDE5A

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 6 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
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

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 FAAH 3585/4885BCDIN3D 1161/4885FLT1 18/4885

“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.