SCHEMBL7130469

SCHEMBL7130469

Clc1ncnc2c1CCc1ccccc1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.66
BCHE P06276 2/20 0.45
ACHE P22303 1/20 0.45
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
GSR P00390 1/20 0.41
LIMK1 P53667 1/20 0.41
CES1 P23141 1/20 0.38
DRD4 P21917 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA1 P30542 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL9837155 0.90 DYRK1A (0.54) DYRK1ABCHEACHEKDM4EALDH1A1
SCHEMBL13780834 0.79 DYRK1A (0.66) DYRK1ABCHEACHEKDM4EALDH1A1
SCHEMBL10339508 0.79 DYRK1A (1.00) DYRK1ABCHEACHEKDM4EALDH1A1
SCHEMBL13780833 0.79 DYRK1A (0.66) DYRK1ABCHEACHEKDM4EALDH1A1
SCHEMBL7130556 0.78 DYRK1A (0.41) DYRK1AACHEKDM4EALDH1A1HRH4
SCHEMBL10329707 0.76 BCHE (0.53) DYRK1ABCHEACHEKDM4EALDH1A1
SCHEMBL7119156 0.74 MEN1 (0.42) DYRK1AKDM4EALDH1A1LMNA
SCHEMBL7126015 0.74 KDM4E (0.47) ACHEKDM4EALDH1A1POLBCYP1A2
SCHEMBL4877642 0.73 BCHE (0.57) DYRK1ABCHEACHEKDM4EALDH1A1
SCHEMBL12160429 0.72 BCHE (0.45) DYRK1ABCHEACHEKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 DYRK1A 3357/4885BCHE 1484/4885ACHE 2028/4885

“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.