SCHEMBL401220

SCHEMBL401220

Cc1cc(Nc2cc[nH]n2)nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cccc(Cl)c2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.36
FAAH O00519 2/20 0.35
SPR P35270 1/20 0.35
AURKA O14965 1/20 0.33
AURKB Q96GD4 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
SCHEMBL10172360 0.92 AURKA (0.38) FAAHSPRAURKAAURKB
SCHEMBL400511 0.92 AURKA (0.38) FAAHSPRAURKAAURKB
SCHEMBL398673 0.86 SPR (0.33) FAAHSPRAURKA
SCHEMBL400939 0.85 P2RX7 (0.37) P2RX7SPRAURKAAURKB
SCHEMBL402388 0.85 P2RX7 (0.37) P2RX7SPRAURKAAURKB
SCHEMBL400349 0.83 FAAH (0.36) P2RX7FAAHSPRAURKAAURKB
SCHEMBL10172375 0.83 FAAH (0.36) P2RX7FAAHSPRAURKAAURKB
SCHEMBL4124966 0.81 AURKA (0.48) AURKAAURKB
Trifluoroacetic Acid SCHEMBL15225961 0.78 AURKA (0.34) P2RX7FAAHSPRAURKAAURKB
Trifluoroacetic Acid SCHEMBL397827 0.78 AURKA (0.34) P2RX7FAAHSPRAURKAAURKB

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 P2RX7 3822/4885FAAH 4111/4885SPR 3798/4885

“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.