SCHEMBL6329487

SCHEMBL6329487

CN(C)C1CN(C(=O)c2ccc3c(NCc4cccc(C(=N)N)c4)ncnc3c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.43
RPS6KB1 P23443 6/20 0.43
AURKB Q96GD4 3/20 0.43
MAPK1 P28482 3/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
CNR1 P21554 3/20 0.42
CNR2 P34972 2/20 0.42
CLK4 Q9HAZ1 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL6329960 0.87 F10 (0.48) AURKARPS6KB1AURKBMAPK1CNR1
SCHEMBL8307208 0.86 F10 (0.48) AURKARPS6KB1AURKBLMNAHPGD
Hydrochloric Acid SCHEMBL6326766 0.86 F10 (0.48) AURKARPS6KB1AURKBMAPK1CNR1
SCHEMBL6325892 0.86 F10 (0.48) AURKARPS6KB1AURKBLMNAHPGD
SCHEMBL6322361 0.85 AURKA (0.49) AURKARPS6KB1AURKBLMNAHPGD
Hydrochloric Acid SCHEMBL6325502 0.85 F10 (0.47) AURKARPS6KB1AURKBLMNAHPGD
SCHEMBL6323907 0.85 CDK1 (0.50) AURKARPS6KB1AURKBCNR1CNR2
SCHEMBL6323988 0.84 CDK1 (0.45) AURKARPS6KB1AURKBCNR1CNR2
SCHEMBL6326456 0.82 AURKA (0.41) AURKARPS6KB1AURKBALDH1A1LMNA
SCHEMBL6327136 0.82 POLB (0.46) AURKARPS6KB1AURKBMAPK1USP2

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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 AURKA 437/4885RPS6KB1 2064/4885AURKB 874/4885

“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.