SCHEMBL5120176

SCHEMBL5120176

O=[N+]([O-])c1cc2c(Cl)nc(-c3ccncc3)nc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
RAB9A P51151 4/20 0.39
AHR P35869 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NPC1 O15118 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
PRKCI P41743 5/20 0.35
PDE7A Q13946 3/20 0.34
PDE4B Q07343 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE7B Q9NP56 2/20 0.34
GALR2 O43603 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MPI P34949 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
SCHEMBL5119695 0.85 CYP2A6 (0.50) MAPTRAB9AADORA2AADORA1NPC1
SCHEMBL8336344 0.84 MEN1 (0.39) MAPTRAB9ANPC1PDE4BPDE4D
SCHEMBL5815431 0.83 PTGS2 (0.43) MAPTPRKCIPDE4BPDE4DALDH1A1
SCHEMBL7521883 0.82 KDM4E (0.53) MAPTRAB9AADORA2AADORA1NPC1
SCHEMBL7513372 0.81 PDE5A (0.55) MAPTABCG2PRKCIPDE4BPDE4D
SCHEMBL8178691 0.80 MAPT (0.40) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL5123556 0.79 ADORA2A (0.42) MAPTRAB9AADORA2AADORA1NPC1
SCHEMBL5129642 0.79 ADORA2A (0.40) MAPTRAB9AADORA2AADORA1NPC1
SCHEMBL5116143 0.79 METAP1 (0.49) MAPTRAB9AADORA2AADORA1NPC1
SCHEMBL7516851 0.77 PRKCI (0.41) MAPTADORA2AADORA1CYP1A2CYP3A4

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 MAPT 2997/4885RAB9A 3220/4885AHR 1521/4885

“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.