SCHEMBL8325831

SCHEMBL8325831

CNCc1nc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
F10 P00742 1/20 0.49
PDE10A Q9Y233 2/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
PSMD14 O00487 1/20 0.41
MMP2 P08253 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 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
SCHEMBL19494267 0.89 PKM (0.50) PKMF10PDE10AKDM4EKMT2A
SCHEMBL16188990 0.87 GAA (0.51) PKMF10PDE10AALDH1A1KMT2A
SCHEMBL16188974 0.81 KMT2A (0.64) PKMF10PDE10AKDM4EKMT2A
SCHEMBL12264335 0.80 GAA (0.62) F10PDE10AKDM4EALDH1A1CYP1A2
SCHEMBL16188967 0.80 IDO1 (0.60) PKMF10KMT2AIDO1CBFB
SCHEMBL7332580 0.77 F10 (0.53) PKMF10PDE10AKDM4EALDH1A1
SCHEMBL28503804 0.77 KDM4E (0.45) F10PDE10AKDM4EALDH1A1CYP1A2
SCHEMBL22584708 0.77 CACNA1H (0.62) PKMF10PDE10AKDM4EALDH1A1
SCHEMBL16810842 0.77 TDP1 (0.54) F10PDE10AKDM4EALDH1A1CYP1A2
SCHEMBL1941487 0.77 PDE10A (0.49) F10PDE10AKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708307-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2017-07-18 US 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-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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 2819/4885F10 4166/4885PDE10A 430/4885
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD2, DRD1, OPRD1 PKM 2958/4885F10 4265/4885PDE10A 515/4885

“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.