SCHEMBL343303

SCHEMBL343303

Cc1cc(Nc2ncc(C3CC3)s2)nc(N2CC(C(=O)O)CC(C3CCCCC3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK5 Q00535 2/20 0.36
GAA P10253 1/20 0.36
MAP3K12 Q12852 1/20 0.36
SYK P43405 3/20 0.35
LCK P06239 1/20 0.34
RBP4 P02753 2/20 0.34
KCNH2 Q12809 1/20 0.34
KCNN2 Q9H2S1 1/20 0.34
KCNN3 Q9UGI6 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
SCHEMBL342795 1.00 KDM4E (0.41) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL342796 1.00 KDM4E (0.41) KDM4EHSD17B10MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL342782 0.95 HSD17B10 (0.38) KDM4EHSD17B10MEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL342780 0.95 HSD17B10 (0.38) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL342486 0.92 HSD17B10 (0.35) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL342484 0.92 HSD17B10 (0.35) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL342485 0.92 HSD17B10 (0.35) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL342884 0.87 KDR (0.43) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL342882 0.87 KDR (0.43) KDM4EHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL342883 0.87 KDR (0.43) KDM4EHSD17B10MEN1ALDH1A1KMT2A

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 7 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
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 1328/4885MEN1 1574/4885

“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.