SCHEMBL3603447

SCHEMBL3603447

COc1ncccc1-c1ccnc(Nc2cccc(-c3cnco3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.48
BCR P11274 6/20 0.48
SRC P12931 2/20 0.48
GSK3B P49841 3/20 0.47
CDK4 P11802 2/20 0.47
CDK2 P24941 2/20 0.47
DYRK1A Q13627 2/20 0.47
IMPDH2 P12268 2/20 0.46
PRKCA P17252 4/20 0.45
PRKCD Q05655 2/20 0.45
LCK P06239 2/20 0.45
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCI P41743 1/20 0.45
ZAP70 P43403 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCZ Q05513 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
SCHEMBL3609139 0.84 PIK3CG (0.55) ABL1BCRSRCGSK3BCDK4
SCHEMBL3607198 0.80 ABL1 (0.51) ABL1BCRSRCGSK3BCDK4
SCHEMBL4485853 0.79 CDK2 (0.73) GSK3BCDK4CDK2DYRK1ACDK9
SCHEMBL14661996 0.79 MEN1 (0.48) IMPDH2MAP4K4
SCHEMBL13503025 0.78 ABL1 (0.47) ABL1BCRSRCGSK3BCDK4
SCHEMBL17113389 0.78 SYK (0.52) ABL1BCRSRCIMPDH2PRKCA
SCHEMBL13503014 0.78 PIK3C3 (0.53) ABL1GSK3BCDK4CDK2PRKCA
SCHEMBL3616129 0.76 ABL1 (0.56) ABL1BCRSRCGSK3BPRKCA
SCHEMBL4476385 0.76 SYK (0.52) ABL1BCRSRCPRKCAPRKCD
SCHEMBL3607411 0.76 GSK3B (0.59) ABL1GSK3BCDK4CDK2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP 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
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 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
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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 (2 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 ABL1 851/4885BCR 350/4885SRC 500/4885
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.