SCHEMBL401815

SCHEMBL401815

Cc1cc(Nc2cc(C)[nH]n2)nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cccc(C(F)(F)F)c2F)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.46
AURKB Q96GD4 7/20 0.46
P2RX7 Q99572 6/20 0.37
RET P07949 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
SCHEMBL400939 0.90 P2RX7 (0.37) AURKAAURKBP2RX7
SCHEMBL402388 0.90 P2RX7 (0.37) AURKAAURKBP2RX7
SCHEMBL4124966 0.90 AURKA (0.48) AURKAAURKB
SCHEMBL15225692 0.80 AURKA (0.46) AURKAAURKB
SCHEMBL402078 0.80 AURKA (0.46) AURKAAURKB
SCHEMBL10172360 0.79 AURKA (0.38) AURKAAURKB
SCHEMBL398673 0.79 SPR (0.33) AURKA
SCHEMBL400511 0.79 AURKA (0.38) AURKAAURKB
SCHEMBL402069 0.78 AURKA (0.43) AURKAAURKBP2RX7
SCHEMBL3535817 0.78 AURKA (0.51) AURKAAURKB

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
EP-2017279-B1 AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY MSD KK (JP) 2013-09-04 EP disclosed
US-8101621-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2012-01-24 US disclosed
US-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
EP-2017279-A1 NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP 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-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action RB1, AURKA, AURKC AURKA 2/4885AURKB 4/4885P2RX7 3822/4885

“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.