SCHEMBL84484

SCHEMBL84484

COc1cccc(Nc2nccc(C(C)C)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.69
PIK3CG P48736 5/20 0.63
PIK3CA P42336 4/20 0.63
PIK3CB P42338 4/20 0.63
KCNH3 Q9ULD8 1/20 0.58
IGF1R P08069 1/20 0.56
SYK P43405 2/20 0.55
ROCK1 Q13464 1/20 0.53
KDR P35968 2/20 0.53
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53
CDK2 P24941 3/20 0.52
GSK3B P49841 2/20 0.52
CDK4 P11802 1/20 0.52
DYRK1A Q13627 1/20 0.52
CDK5 Q00535 2/20 0.51
CCNA2 P20248 1/20 0.51
CDK5R1 Q15078 1/20 0.51
JAK2 O60674 1/20 0.49

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
SCHEMBL84027 0.85 IGF1R (0.59) EGFRPIK3CGPIK3CAPIK3CBIGF1R
SCHEMBL91589 0.82 EGFR (0.74) EGFRPIK3CGPIK3CAPIK3CBKCNH3
SCHEMBL1377802 0.82 EGFR (1.00) EGFRPIK3CGPIK3CAPIK3CBIGF1R
SCHEMBL15181344 0.82 PLK1 (0.49) EGFRPIK3CGPIK3CAPIK3CBSYK
SCHEMBL2284267 0.81 EGFR (0.72) EGFRPIK3CGPIK3CAPIK3CBKCNH3
SCHEMBL84004 0.81 CDK2 (0.54) EGFRPIK3CGPIK3CASYKKDR
SCHEMBL84435 0.81 CDK2 (0.47) EGFRPIK3CGPIK3CAPIK3CBIGF1R
Hydrochloric Acid SCHEMBL12813301 0.80 EGFR (0.71) EGFRPIK3CGPIK3CAPIK3CBKCNH3
SCHEMBL31046394 0.78 EGFR (0.92) EGFRPIK3CGPIK3CAPIK3CBIGF1R
SCHEMBL27116598 0.78 PIK3CG (0.83) EGFRPIK3CGPIK3CAPIK3CBSYK

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-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS EGFR 197/4885PIK3CG 222/4885PIK3CA 30/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS EGFR 782/4885PIK3CG 124/4885PIK3CA 45/4885

“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.