SCHEMBL3617870

SCHEMBL3617870

Clc1cccc(Nc2nccc(-c3cccc4[nH]ccc34)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 2/20 0.59
CAMK2D Q13557 6/20 0.58
ABL1 P00519 2/20 0.56
BCR P11274 2/20 0.56
PRKCA P17252 2/20 0.56
PRKCD Q05655 2/20 0.56
CDK2 P24941 4/20 0.55
CDK4 P11802 2/20 0.55
CDK9 P50750 2/20 0.54
BRD4 O60885 1/20 0.54
PLK1 P53350 1/20 0.53
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
SYK P43405 1/20 0.53
CSNK2A1 P68400 1/20 0.51
EGFR P00533 1/20 0.50
SRC P12931 1/20 0.50
PRKACA P17612 1/20 0.50
PRKACG P22612 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
SCHEMBL3246773 0.88 NUDT1 (0.61) EIF2AK2CAMK2DABL1BCRPRKCA
SCHEMBL14123853 0.87 CDK1 (0.64) EIF2AK2ABL1BCRPRKCAPRKCD
SCHEMBL3623722 0.85 EIF2AK2 (0.55) EIF2AK2ABL1BCRPRKCAPRKCD
SCHEMBL3620128 0.83 CDK9 (0.64) EIF2AK2ABL1BCRPRKCAPRKCD
SCHEMBL13051120 0.81 ABL1 (0.58) EIF2AK2CAMK2DABL1BCRPRKCA
SCHEMBL12723013 0.81 ABL1 (0.58) EIF2AK2CAMK2DABL1BCRPRKCA
SCHEMBL3617951 0.80 CDK1 (0.54) EIF2AK2CDK2CDK4SYKEGFR
SCHEMBL3599515 0.79 ABL1 (0.65) EIF2AK2CAMK2DABL1BCRPRKCA
SCHEMBL3251717 0.79 CDK1 (0.76) EIF2AK2CAMK2DABL1BCRPRKCA
SCHEMBL3618907 0.79 BRD4 (0.48) EIF2AK2PRKCAPRKCDCDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 US disclosed
EP-2094681-A1 INDOL-4-YL-PYRIMIDINYL-2-YL-AMINE DERIVATIVES AND USE THEREOF AS CYCLIN DEPENDANT KINASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008079918-A1 INDOL-4-YL-PYRIMIDINYL-2-YL-AMINE DERIVATIVES AND USE THEREOF AS CYCLIN DEPENDANT KINASE INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
WO-2008079918-A1 INDOL-4-YL-PYRIMIDINYL-2-YL-AMINE DERIVATIVES AND USE THEREOF AS CYCLIN DEPENDANT KINASE INHIBITORS 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-20100093776-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 EIF2AK2 2174/4885CAMK2D 4474/4885ABL1 3215/4885

“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.