SCHEMBL5119984

SCHEMBL5119984

O=[N+]([O-])c1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3ccno3)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
BCDIN3D Q7Z5W3 1/20 0.38
MAPT P10636 1/20 0.37
PDE5A O76074 3/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
FAAH O00519 4/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 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
SCHEMBL7615953 0.95 LMNA (0.38) ALDH1A1ADORA2AADORA1BCDIN3DMAPT
SCHEMBL5128637 0.92 PDE5A (0.45) ALDH1A1MAPTPDE5ANPC1RAB9A
SCHEMBL5814326 0.87 PDE5A (0.47) ALDH1A1MAPTPDE5ANPC1RAB9A
SCHEMBL5113942 0.86 PRKCI (0.44) ALDH1A1ADORA2AADORA1BCDIN3DMAPT
SCHEMBL5127500 0.86 MEN1 (0.41) MAPTPDE5ANPC1RAB9AUSP1
SCHEMBL5128694 0.85 BCDIN3D (0.40) ADORA2AADORA1BCDIN3DMAPTPDE5A
SCHEMBL5129031 0.85 BCDIN3D (0.42) ADORA2AADORA1BCDIN3DMAPTPDE5A
SCHEMBL5128648 0.85 MAPT (0.44) MAPTPDE5ANPC1RAB9AKMT2A
SCHEMBL5115111 0.84 PRKCI (0.46) ALDH1A1ADORA2AADORA1BCDIN3DMAPT
SCHEMBL5126388 0.84 L3MBTL1 (0.43) ALDH1A1ADORA2AADORA1BCDIN3DMAPT

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 8 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
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 1055/4885ADORA2A 1406/4885ADORA1 1249/4885

“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.