SCHEMBL7366882

SCHEMBL7366882

CNCc1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
TDP1 Q9NUW8 1/20 0.47
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
PTGS2 P35354 1/20 0.44
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KLK1 P06870 1/20 0.42
KLK5 Q9Y337 1/20 0.42
EGFR P00533 2/20 0.42
F10 P00742 1/20 0.42
HRH4 Q9H3N8 2/20 0.41
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CACNA1G O43497 1/20 0.40
ERBB2 P04626 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL20511732 0.85 TDP1 (0.49) PKMTDP1PTGS2GAAHTT
SCHEMBL12402240 0.84 TDP1 (0.45) PKMTDP1GAAHTTEGFR
SCHEMBL13970741 0.84 TDP1 (0.45) PKMTDP1PTGS2GAAHTT
SCHEMBL13950568 0.83 TDP1 (0.44) PKMTDP1PTGS2GAAHTT
SCHEMBL23742758 0.83 TDP1 (0.44) PKMTDP1PTGS2GAAHTT
SCHEMBL21486288 0.82 PKM (0.61) PKMTDP1GAAHTTKLK1
SCHEMBL7764723 0.81 GAA (0.64) TDP1GAAHTTEGFRF10
SCHEMBL16188992 0.81 PKM (0.59) PKMTDP1GAAHTTRAB9A
SCHEMBL24376403 0.81 PKM (0.59) PKMTDP1GAAHTTEGFR
SCHEMBL485294 0.80 TDP1 (0.53) TDP1GAAHTTEGFRF10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2987793-B1 HETEROCYCLIC ACETIC ACID AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-9708307-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2017-07-18 US disclosed
EP-2987793-A1 HETEROCYCLIC ACETIC ACID AMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-02-24 EP disclosed
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-02-12 US disclosed
US-8937087-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2015-01-20 US disclosed
US-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-23 US disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 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 (2 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-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD1, DRD2, OPRD1 PKM 2819/4885TDP1 2906/4885PIM1 2704/4885
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD2, DRD1, OPRD1 PKM 2958/4885TDP1 2896/4885PIM1 2312/4885

“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.