SCHEMBL14199780

SCHEMBL14199780

CCNC(=O)Nc1ccc(-c2csc(C)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 15/20 0.71
▸ NPC1 O15118 13/20 0.71
▸ SMN1; SMN2 Q16637 6/20 0.71
▸ ALDH1A1 P00352 6/20 0.64
▸ HPGD P15428 3/20 0.64
▸ LMNA P02545 1/20 0.64
▸ GFER P55789 1/20 0.62
▸ KDM4E B2RXH2 5/20 0.61
▸ NFKB1 P19838 2/20 0.61
▸ NFKB2 Q00653 2/20 0.61
▸ RELA Q04206 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ STAT1 P42224 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ PKM P14618 1/20 0.58

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
SCHEMBL19267603 0.81 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL19627035 0.80 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL22753353 0.78 ROCK2 (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL19626490 0.78 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL27885076 0.76 NFKB1 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL16404739 0.76 RAB9A (0.85) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL16217072 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL23560422 0.75 MTNR1B (0.57) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL11186170 0.75 ROCK2 (0.64) RAB9AKMT2AGAAHTT
SCHEMBL1553464 0.74 ROCK2 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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 1 patent. 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

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 2554/4885NPC1 1498/4885SMN1; SMN2 3558/4885

“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.

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