SCHEMBL342158

SCHEMBL342158

Cc1cc(Nc2ccn[nH]2)nc(N2C[C@H](C(=O)O)C[C@H](c3cccc(C(F)(F)F)c3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.39
MAP3K12 Q12852 2/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RBP4 P02753 5/20 0.36
NOTUM Q6P988 1/20 0.36
PHGDH O43175 1/20 0.36
PPARG P37231 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL342160 1.00 IDH2 (0.41) IDH2KMT2AMEN1ALDH1A1TSHR
SCHEMBL342159 1.00 IDH2 (0.41) IDH2KMT2AMEN1ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL342767 0.98 IDH2 (0.39) IDH2KMT2AMEN1ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL342769 0.98 IDH2 (0.39) IDH2KMT2AMEN1ALDH1A1TSHR
SCHEMBL343152 0.93 KMT2A (0.40) IDH2KMT2AMEN1ALDH1A1TSHR
SCHEMBL343154 0.93 KMT2A (0.40) IDH2KMT2AMEN1ALDH1A1TSHR
SCHEMBL343153 0.93 KMT2A (0.40) IDH2KMT2AMEN1ALDH1A1TSHR
SCHEMBL342768 0.90 KMT2A (0.38) IDH2KMT2AMEN1ALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL474405 0.90 AURKA (0.40) KMT2AMEN1ALDH1A1KDM4EHSD17B10
Trifluoroacetic Acid SCHEMBL342171 0.90 AURKA (0.40) KMT2AMEN1ALDH1A1KDM4EHSD17B10

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 4 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

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 IDH2 222/4885KMT2A 83/4885MEN1 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.