SCHEMBL13399862

SCHEMBL13399862

O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3ccncc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.78
NTRK1 P04629 4/20 0.56
EGFR P00533 2/20 0.56
FYN P06241 1/20 0.54
SRC P12931 1/20 0.54
BTK Q06187 1/20 0.53
LMNA P02545 1/20 0.53
APP P05067 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
AURKB Q96GD4 1/20 0.52
ADORA3 P0DMS8 1/20 0.52

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
SCHEMBL13399866 0.92 AURKA (0.78) AURKANTRK1EGFRFYNSRC
SCHEMBL13399982 0.88 AURKA (1.00) AURKANTRK1EGFRFYNSRC
SCHEMBL13399989 0.81 AURKA (0.78) AURKANTRK1FYNSRCBTK
SCHEMBL13399861 0.81 AURKA (0.74) AURKANTRK1EGFRBTKLMNA
SCHEMBL1939314 0.78 AURKA (1.00) AURKANTRK1EGFRMAPK1AURKB
SCHEMBL1939669 0.78 AURKA (0.83) AURKANTRK1EGFRMAPK1AURKB
SCHEMBL13399975 0.78 CSF1R (0.73) AURKANTRK1BTKAURKB
SCHEMBL757952 0.77 AURKA (0.89) AURKAAURKB
SCHEMBL13399752 0.77 AURKA (0.65) AURKANTRK1
SCHEMBL759151 0.77 AURKA (0.84) AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 US disclosed
US-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 US disclosed
EP-2331530-B1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (CN) 2013-08-21 EP disclosed
WO-2010036629-A2 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 WO disclosed
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 US disclosed
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 US 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-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS AURKC, AURKA, AURKB AURKA 2/4885NTRK1 1705/4885EGFR 493/4885

“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.