SCHEMBL3614099

SCHEMBL3614099

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.63
BCR P11274 3/20 0.63
PRKCA P17252 2/20 0.63
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SRC P12931 2/20 0.57
IKBKB O14920 1/20 0.55
MAPK8 P45983 2/20 0.52
GSK3B P49841 2/20 0.52
PIK3CG P48736 2/20 0.52
CAMKK2 Q96RR4 1/20 0.52
CDK9 P50750 2/20 0.52
CCNT1 O60563 1/20 0.52
CAMK2D Q13557 3/20 0.51
AURKA O14965 4/20 0.50
PDGFRB P09619 2/20 0.50
KDR P35968 2/20 0.50
MAP4K4 O95819 1/20 0.50
LCK P06239 1/20 0.50
MET P08581 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
SCHEMBL3616129 0.91 ABL1 (0.56) ABL1BCRPRKCASRCMAPK8
SCHEMBL3611706 0.87 ABL1 (0.52) ABL1BCRPRKCASRCMAPK8
SCHEMBL3613419 0.87 ABL1 (0.57) ABL1BCRPRKCANPC1RAB9A
SCHEMBL3609221 0.87 ABL1 (0.57) ABL1BCRPRKCANPC1RAB9A
SCHEMBL3598695 0.85 JAK2 (0.56) ABL1BCRPRKCASRCMAPK8
SCHEMBL5999668 0.84 ABL1 (0.67) ABL1BCRPRKCANPC1RAB9A
SCHEMBL3609139 0.84 PIK3CG (0.55) ABL1BCRPRKCASRCMAPK8
SCHEMBL3607206 0.83 CDC7 (0.59) ABL1BCRSRCIKBKBGSK3B
SCHEMBL3596098 0.81 CDK9 (0.76) ABL1MAPK8GSK3BPIK3CGCDK9
SCHEMBL25339113 0.80 ABL1 (0.65) ABL1BCRPRKCANPC1RAB9A

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 3115/4885PRKCA 4612/4885

“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.