SCHEMBL3611706

SCHEMBL3611706

CCNC(=O)c1cccc(Nc2nccc(-c3cccnc3OC)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.52
BCR P11274 6/20 0.52
SRC P12931 5/20 0.52
GSK3B P49841 3/20 0.52
CDK4 P11802 1/20 0.52
CDK2 P24941 1/20 0.52
EGFR P00533 1/20 0.52
PDE2A O00408 1/20 0.48
PDE10A Q9Y233 1/20 0.48
PRKCA P17252 4/20 0.48
AURKA O14965 4/20 0.46
AURKB Q96GD4 4/20 0.46
KDR P35968 4/20 0.46
PDGFRB P09619 3/20 0.46
LCK P06239 2/20 0.46
MAP4K4 O95819 1/20 0.46
MET P08581 1/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
FLT3 P36888 1/20 0.46

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
SCHEMBL3607206 0.88 CDC7 (0.59) ABL1BCRSRCGSK3BCDK4
SCHEMBL3614099 0.87 ABL1 (0.63) ABL1BCRSRCGSK3BPRKCA
SCHEMBL3609221 0.86 ABL1 (0.57) ABL1BCRSRCGSK3BCDK4
SCHEMBL3616129 0.86 ABL1 (0.56) ABL1BCRSRCGSK3BPRKCA
SCHEMBL3613419 0.83 ABL1 (0.57) ABL1BCRSRCGSK3BCDK4
SCHEMBL3598695 0.81 JAK2 (0.56) ABL1BCRSRCGSK3BEGFR
SCHEMBL3605496 0.79 CDK9 (0.58) ABL1GSK3BCDK4CDK2AURKA
SCHEMBL3609139 0.77 PIK3CG (0.55) ABL1BCRSRCGSK3BCDK4
SCHEMBL3596098 0.77 CDK9 (0.76) ABL1GSK3BCDK4CDK2AURKA
SCHEMBL3607493 0.76 CDK9 (0.57) ABL1GSK3BCDK4CDK2AURKA

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-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
WO-2008079933-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS NOVARTIS AG (CH) 2008-07-03 WO 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.