Sugi Predict

Sugi Predict / Compounds / SCHEMBL342541

SCHEMBL342541

SCHEMBL342541

Cc1cc(Nc2ccn[nH]2)nc(N2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C(=O)O)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.38
▸ PDPK1 O15530 4/20 0.38
▸ AURKB Q96GD4 4/20 0.38
▸ RET P07949 2/20 0.37
▸ SYK P43405 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ BTK Q06187 2/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL342540 1.00 AURKA (0.38) AURKAPDPK1AURKBRETSYK
SCHEMBL342120 1.00 AURKA (0.38) AURKAPDPK1AURKBRETSYK
SCHEMBL342121 1.00 AURKA (0.38) AURKAPDPK1AURKBRETSYK
SCHEMBL342119 1.00 AURKA (0.38) AURKAPDPK1AURKBRETSYK
SCHEMBL342204 0.93 RET (0.38) AURKAPDPK1AURKBRETSYK
SCHEMBL342737 0.93 RET (0.38) AURKAPDPK1AURKBRETSYK
SCHEMBL342738 0.93 RET (0.38) AURKAPDPK1AURKBRETSYK
SCHEMBL342203 0.93 RET (0.38) AURKAPDPK1AURKBRETSYK
SCHEMBL342205 0.93 RET (0.38) AURKAPDPK1AURKBRETSYK
SCHEMBL341767 0.87 AURKA (0.43) AURKAPDPK1AURKBSYKKMT2A

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
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
EP-2411011-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD K.K. (JP) 2012-02-01 — — EP disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 — — US disclosed
WO-2010111056-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 — — 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB AURKA 1/4885PDPK1 1729/4885AURKB 3/4885

“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.