SCHEMBL14199813

SCHEMBL14199813

CCn1ccc(-c2ccc(NC(=O)N(C)C)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
AURKB Q96GD4 2/20 0.47
INCENP Q9NQS7 1/20 0.47
TSHR P16473 1/20 0.45
ROCK1 Q13464 1/20 0.42
AURKA O14965 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 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
SCHEMBL14069333 0.88 RAB9A (0.46) RAB9ATSHRROCK1ITGB1ITGA4
SCHEMBL14069326 0.83 TSHR (0.50) TSHRCA12CA1CA2CA9
SCHEMBL14069303 0.81 ITGB1 (0.55) RAB9AAURKBINCENPTSHRROCK1
SCHEMBL4314208 0.75 AURKB (0.58) RAB9AAURKBINCENPTSHRAURKA
SCHEMBL14199841 0.75 MAPT (0.43) RAB9A
SCHEMBL21051373 0.73 ACSS2 (0.43) RAB9ATSHR
SCHEMBL687878 0.72 TSHR (0.79) TSHRCA12CA1CA2CA9
SCHEMBL8005007 0.70 MAPT (0.41) RAB9ACA1CA2
SCHEMBL13634221 0.70 ALDH1A1 (0.49) RAB9ACA12CA9
SCHEMBL31306191 0.70 KEAP1 (0.61) RAB9ATSHR

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-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 US disclosed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 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-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB RAB9A 2554/4885AURKB 3/4885INCENP 166/4885

“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.