SCHEMBL401566

SCHEMBL401566

Cc1cc(Nc2ccnn2C(C)(C)C)nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cccc(Cl)c2F)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.37
AURKA O14965 11/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
SPR P35270 1/20 0.33
AURKB Q96GD4 6/20 0.33
INCENP Q9NQS7 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
FAAH O00519 1/20 0.32
CYP3A4 P08684 2/20 0.32
LCK P06239 1/20 0.31

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
SCHEMBL10172355 1.00 PDE2A (0.37) PDE2AAURKAHCRTR1HCRTR2SPR
SCHEMBL4124966 0.84 AURKA (0.48) AURKAAURKB
SCHEMBL400511 0.82 AURKA (0.38) PDE2AAURKASPRAURKBINCENP
SCHEMBL10172360 0.82 AURKA (0.38) PDE2AAURKASPRAURKBINCENP
SCHEMBL402078 0.77 AURKA (0.46) AURKAAURKB
SCHEMBL15225692 0.77 AURKA (0.46) AURKAAURKB
SCHEMBL401815 0.75 AURKA (0.46) AURKAAURKB
SCHEMBL401220 0.75 P2RX7 (0.36) AURKASPRAURKBFAAH
SCHEMBL402388 0.74 P2RX7 (0.37) AURKASPRAURKB
SCHEMBL400939 0.74 P2RX7 (0.37) AURKASPRAURKB

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 PDE2A 2946/4885AURKA 2/4885HCRTR1 2933/4885

“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.