Sugi Predict

Sugi Predict / Compounds / SCHEMBL343316

SCHEMBL343316

SCHEMBL343316

Cc1cc(Nc2nccs2)nc(N2CC(C(=O)O)CC(C3CCCCC3)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ADORA2A P29274 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HCRTR1 O43613 3/20 0.38
▸ HCRTR2 O43614 3/20 0.38
▸ GAA P10253 2/20 0.37
▸ TSHR P16473 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SYK P43405 3/20 0.36
▸ RBP4 P02753 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL343317 1.00 KDM4E (0.43) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL343315 1.00 KDM4E (0.43) KDM4EHSD17B10ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL341581 0.95 HSD17B10 (0.39) KDM4EHSD17B10ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL341583 0.95 HSD17B10 (0.39) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL343006 0.91 ADORA2A (0.41) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL343007 0.91 ADORA2A (0.41) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL343008 0.91 ADORA2A (0.41) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL10093474 0.87 ADORA2A (0.38) ALDH1A1ADORA2AUSP2HPGDHCRTR1
SCHEMBL342464 0.87 ADORA2A (0.38) ALDH1A1ADORA2AUSP2HPGDHCRTR1
SCHEMBL342463 0.87 ADORA2A (0.38) ALDH1A1ADORA2AUSP2HPGDHCRTR1

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 5 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
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
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 — — US 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 KDM4E 621/4885HSD17B10 1328/4885ALDH1A1 1614/4885

“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.