SCHEMBL3616129

SCHEMBL3616129

COc1ncccc1-c1ccnc(Nc2cccc(C(N)=O)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.56
BCR P11274 2/20 0.56
SRC P12931 1/20 0.56
MAPK8 P45983 1/20 0.52
PIK3CG P48736 1/20 0.52
GSK3B P49841 1/20 0.52
CAMKK2 Q96RR4 1/20 0.52
PRKCA P17252 1/20 0.51
AURKA O14965 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
YES1 P07947 1/20 0.50
LYN P07948 1/20 0.50
FGR P09769 1/20 0.50
EPHA1 P21709 1/20 0.50
EPHA2 P29317 1/20 0.50
EPHA3 P29320 1/20 0.50
EPHB2 P29323 1/20 0.50
CSK P41240 1/20 0.50
TXK P42681 1/20 0.50

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
SCHEMBL3614099 0.91 ABL1 (0.63) ABL1BCRSRCMAPK8PIK3CG
SCHEMBL3613419 0.86 ABL1 (0.57) ABL1BCRSRCMAPK8PIK3CG
SCHEMBL3611706 0.86 ABL1 (0.52) ABL1BCRSRCMAPK8GSK3B
SCHEMBL3609221 0.86 ABL1 (0.57) ABL1BCRSRCMAPK8GSK3B
SCHEMBL3598695 0.84 JAK2 (0.56) ABL1BCRSRCMAPK8PIK3CG
SCHEMBL3607206 0.82 CDC7 (0.59) ABL1BCRSRCGSK3BAURKA
SCHEMBL3607096 0.81 CDK9 (0.62) ABL1MAPK8PIK3CGGSK3BAURKA
SCHEMBL4114718 0.81 ABL1 (0.51) ABL1BCR
SCHEMBL3609139 0.81 PIK3CG (0.55) ABL1BCRSRCMAPK8PIK3CG
SCHEMBL4903189 0.80 PIK3CG (0.61) ABL1BCRSRCMAPK8PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ABL1 3215/4885BCR 3115/4885SRC 3229/4885

“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.