SCHEMBL6525753

SCHEMBL6525753

C=C(OCC)c1ccc2ncc(C(C)c3ccc4[nH]ncc4c3)n2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.44
JAK3 P52333 2/20 0.40
CCNT1 O60563 1/20 0.40
ABL1 P00519 1/20 0.40
PGK1 P00558 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CSNK1E P49674 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
HASPIN Q8TF76 1/20 0.40
AURKB Q96GD4 1/20 0.40
DHODH Q02127 1/20 0.35
NR3C1 P04150 2/20 0.34

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
SCHEMBL1163126 0.81 MET (0.65) MET
SCHEMBL6522187 0.79 MET (0.71) MET
SCHEMBL6522188 0.79 MET (0.71) MET
SCHEMBL3416219 0.72 MET (0.50) METJAK3CCNT1ABL1PGK1
SCHEMBL13676406 0.72 MET (0.50) METJAK3CCNT1ABL1PGK1
SCHEMBL1163571 0.71 MET (0.66) MET
SCHEMBL1163555 0.68 MET (0.67) MET
SCHEMBL24726102 0.68 CTNNB1 (0.53) JAK3DHODHJAK2MEN1NPC1
SCHEMBL10162892 0.67 MET (0.68) MET
SCHEMBL1163326 0.67 MET (0.61) MET

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 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 (3 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-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS MET, HGF, RET MET 1/4885JAK3 89/4885CCNT1 1200/4885
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 MET 1/4885JAK3 93/4885CCNT1 570/4885
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 MET 1/4885JAK3 93/4885CCNT1 570/4885

“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.