SCHEMBL7122983

SCHEMBL7122983

c1cc(CNc2nccc3ccccc23)cc(Nc2nnc3c4c(cccc24)-c2ccccc2-3)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.43
GRM4 Q14833 1/20 0.42
KDR P35968 5/20 0.40
RPS6KB1 P23443 6/20 0.39
AURKB Q96GD4 6/20 0.38
FLT1 P17948 3/20 0.36
PDGFRB P09619 2/20 0.36
KIT P10721 2/20 0.36

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
SCHEMBL7128752 0.79 DRD2 (0.44)
SCHEMBL8370748 0.73 AURKA (0.52) AURKAGRM4RPS6KB1
SCHEMBL7117372 0.73 AHR (0.47) KDR
SCHEMBL6477749 0.71 EGFR (0.57) GRM4
SCHEMBL31098952 0.71 EGFR (0.57) GRM4
Methane SCHEMBL9378754 0.70 EGFR (0.55) GRM4
SCHEMBL10055014 0.69 WNT3A (0.54) GRM4
SCHEMBL6757913 0.68 SENP1 (0.66)
Iodide SCHEMBL7122705 0.68 MAPT (0.40) KDR
SCHEMBL7123001 0.67 ABL1 (0.42) KDRPDGFRB

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 AURKA 1633/4885GRM4 2943/4885KDR 1404/4885

“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.