Sugi Predict

Sugi Predict / Compounds / SCHEMBL342486

SCHEMBL342486

SCHEMBL342486

COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN(c2nc(C)cc(Nc3ncc(C4CC4)s3)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.35
▸ TSHR P16473 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ RBP4 P02753 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ MAP3K12 Q12852 2/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ LCK P06239 1/20 0.33

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
SCHEMBL342484 1.00 HSD17B10 (0.35) HSD17B10TSHRGAARBP4ALDH1A1
SCHEMBL342485 1.00 HSD17B10 (0.35) HSD17B10TSHRGAARBP4ALDH1A1
SCHEMBL342795 0.92 KDM4E (0.41) HSD17B10TSHRGAARBP4ALDH1A1
SCHEMBL343303 0.92 KDM4E (0.41) HSD17B10TSHRGAARBP4ALDH1A1
SCHEMBL342796 0.92 KDM4E (0.41) HSD17B10TSHRGAARBP4ALDH1A1
SCHEMBL342781 0.90 RBP4 (0.35) HSD17B10TSHRGAARBP4ALDH1A1
SCHEMBL343077 0.88 KDR (0.42) HSD17B10TSHRGAAHCRTR1HCRTR2
SCHEMBL343079 0.88 KDR (0.42) HSD17B10TSHRGAAHCRTR1HCRTR2
SCHEMBL343078 0.88 KDR (0.42) HSD17B10TSHRGAAHCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL342780 0.87 HSD17B10 (0.38) HSD17B10TSHRGAARBP4ALDH1A1

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-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 — — US claimed
CN-102497863-A Novel aminopyridine derivatives having Aurora a selective inhibitory action MSD KK 2012-06-13 — — CN claimed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 — — US claimed
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 — — US disclosed
CN-102497863-A Novel aminopyridine derivatives having Aurora a selective inhibitory action MSD KK 2012-06-13 — — CN disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 — — 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB HSD17B10 1328/4885TSHR 2148/4885GAA 4768/4885

“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.