SCHEMBL16823187

SCHEMBL16823187

CC(O)N1CCN(c2ccc(Nc3ncc4cccc(-c5cccc(N)c5)c4n3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.56
BRD4 O60885 1/20 0.56
EGFR P00533 2/20 0.55
FGFR2 P21802 2/20 0.52
MAPK10 P53779 7/20 0.48
JUN P05412 4/20 0.48
MAPK8 P45983 4/20 0.48
TTK P33981 3/20 0.48
FGFR1 P11362 2/20 0.47
KDR P35968 1/20 0.47
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45

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
SCHEMBL29846917 0.88 JAK2 (0.70) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL16514362 0.88 JAK2 (0.70) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL16514799 0.85 JAK2 (0.66) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL29847922 0.84 JAK2 (0.56) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL16514760 0.84 JAK2 (0.56) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL29848096 0.84 FGFR2 (0.71) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL16515483 0.84 FGFR2 (0.71) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL16823075 0.81 CDK4 (0.48) JAK2BRD4EGFRFGFR2FGFR1
SCHEMBL16513630 0.77 JAK2 (0.56) JAK2BRD4EGFRFGFR2MAPK10
SCHEMBL29847837 0.77 JAK2 (0.56) JAK2BRD4EGFRFGFR2MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550770-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-01-24 US disclosed
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-25 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 (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-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 JAK2 53/4885BRD4 658/4885EGFR 272/4885

“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.