SCHEMBL341582

SCHEMBL341582

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.37
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
RBP4 P02753 6/20 0.34
GAA P10253 2/20 0.33
SYK P43405 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 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
SCHEMBL343006 0.90 ADORA2A (0.41) ADORA2AHCRTR1HCRTR2RBP4GAA
SCHEMBL343008 0.90 ADORA2A (0.41) ADORA2AHCRTR1HCRTR2RBP4GAA
SCHEMBL343007 0.90 ADORA2A (0.41) ADORA2AHCRTR1HCRTR2RBP4GAA
Trifluoroacetic Acid SCHEMBL341583 0.88 HSD17B10 (0.39) ADORA2AHCRTR1HCRTR2RBP4GAA
Trifluoroacetic Acid SCHEMBL341581 0.88 HSD17B10 (0.39) ADORA2AHCRTR1HCRTR2RBP4GAA
SCHEMBL342781 0.86 RBP4 (0.35) HCRTR1HCRTR2RBP4GAASYK
SCHEMBL343316 0.86 KDM4E (0.43) ADORA2AHCRTR1HCRTR2RBP4GAA
SCHEMBL343315 0.86 KDM4E (0.43) ADORA2AHCRTR1HCRTR2RBP4GAA
SCHEMBL343317 0.86 KDM4E (0.43) ADORA2AHCRTR1HCRTR2RBP4GAA
SCHEMBL342331 0.84 KDR (0.38) HCRTR1HCRTR2RBP4SYK

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 2 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 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 ADORA2A 685/4885HCRTR1 619/4885HCRTR2 463/4885

“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.