SCHEMBL1965382

SCHEMBL1965382

O=c1[nH]cnc2ccc(Cl)n12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.33
DAPK3 O43293 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
RET P07949 2/20 0.33
IGF1R P08069 2/20 0.33
PIM1 P11309 2/20 0.33
CLK2 P49760 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
PRKX P51817 2/20 0.33
BTK Q06187 2/20 0.33
TYRO3 Q06418 2/20 0.33
DYRK1A Q13627 2/20 0.33
NTRK3 Q16288 2/20 0.33
TAOK1 Q7L7X3 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
ALK Q9UM73 2/20 0.33
CDC7 O00311 1/20 0.33
IKBKB O14920 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
SCHEMBL22533108 0.77 XDH (0.36) PIM1PIM3PARP1PDPK1XDH
SCHEMBL2391186 0.76 EGLN2 (0.36) PARP1ALDH1A1XDH
SCHEMBL16652415 0.65 ACVR1 (0.46) AURKAMETGRK5ACVR1
SCHEMBL124346 0.63 ADORA3 (0.44) DAPK3RETTYRO3DYRK1ACLK4
SCHEMBL867071 0.63 KDR (0.35) ALDH1A1ABL1XDH
SCHEMBL17164007 0.57 ADORA2A (0.37) DAPK3PRKD3PIM1GSK3AGSK3B
SCHEMBL11095453 0.56
SCHEMBL10250849 0.53 CCNE1 (0.41) DAPK3PIM1CLK2CLK4ALK
SCHEMBL4700339 0.53 MGLL (0.44) GSK3BALDH1A1MAPK14
SCHEMBL1724206 0.53

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-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 US disclosed
EP-2336123-A2 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR Neopharm Co., Ltd. (KR) 2011-06-22 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 (2 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-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK AURKA 301/4885DAPK3 295/4885PRKD3 240/4885
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK AURKA 301/4885DAPK3 295/4885PRKD3 240/4885

“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.