SCHEMBL7117237

SCHEMBL7117237

Brc1cccc2c(Nc3cccc(-c4cncnc4)c3)nccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.49
CDK5 Q00535 4/20 0.43
CDK5R1 Q15078 4/20 0.43
DYRK1A Q13627 2/20 0.43
ABCG2 Q9UNQ0 5/20 0.43
LMNA P02545 1/20 0.41
RAF1 P04049 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
TNF P01375 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL7118787 0.79 EGFR (0.44) EGFRCDK5CDK5R1DYRK1AABCG2
SCHEMBL7128312 0.79 AHR (0.52) EGFRABCG2LMNATNF
SCHEMBL7124246 0.77 RIPK2 (0.43) EGFRABCG2LMNAMAPK1CCNA2
SCHEMBL5444972 0.73 MEN1 (0.54) CDK5DYRK1ARAF1MAPK1CDK2
SCHEMBL7120233 0.72 ABCG2 (0.59) EGFRABCG2
SCHEMBL7124011 0.72 ABL1 (0.49) EGFRABCG2CYP3A4TNF
SCHEMBL4505968 0.71 EGFR (0.54) EGFRABCG2
SCHEMBL7128446 0.70 ABCG2 (0.41) EGFRABCG2MAPK1TNF
SCHEMBL24196734 0.67 PLAU (0.46) CYP1A2CYP3A4TNF
SCHEMBL11848847 0.67 PLAU (0.50) EGFRCDK5CDK5R1DYRK1ALMNA

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 319/4885CDK5 2255/4885CDK5R1 2841/4885

“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.