SCHEMBL7126866

SCHEMBL7126866

c1cc(Nc2ncnc3c2CCc2ccccc2-3)cc(-c2cncnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.45
DYRK1A Q13627 3/20 0.45
ABL1 P00519 6/20 0.39
FGFR1 P11362 6/20 0.39
SRC P12931 6/20 0.39
PDGFRB P09619 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
KDR P35968 3/20 0.39
CYP2D6 P10635 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
MAPK1 P28482 2/20 0.38
RAF1 P04049 2/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRAF P15056 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
SCHEMBL7127628 0.84 DYRK1A (0.43) EGFRDYRK1ACYP1A2CYP3A4KDR
SCHEMBL7126117 0.81 RIPK2 (0.41) EGFRDYRK1AABL1FGFR1SRC
SCHEMBL7125546 0.77 BRD4 (0.45) EGFRDYRK1AKDRLMNAHSD17B10
SCHEMBL7122204 0.73 DYRK1A (0.40) EGFRDYRK1ACYP3A4KDRHIF1A
SCHEMBL7115935 0.73 DYRK1A (0.40) EGFRDYRK1AFGFR1CYP1A2KDR
Hydrochloric Acid SCHEMBL7123978 0.72 DYRK1A (0.40) EGFRDYRK1ACYP3A4KDRHIF1A
Hydrochloric Acid SCHEMBL7117269 0.72 DYRK1A (0.40) EGFRDYRK1ACYP3A4KDRHIF1A
SCHEMBL7126114 0.71 DYRK1A (0.38) EGFRDYRK1AKDRHIF1ACCNA2
SCHEMBL7115986 0.70 DYRK1A (0.38) DYRK1ACYP1A2CYP3A4KDRCYP2D6
SCHEMBL7118837 0.70 DYRK1A (0.38) EGFRDYRK1A

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 EGFR 319/4885DYRK1A 3357/4885ABL1 212/4885

“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.