SCHEMBL84704

SCHEMBL84704

C[Si](C)(C)CCOCn1c(-c2ccccc2)nc(Br)c1-c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
CDK2 P24941 3/20 0.43
CDK4 P11802 2/20 0.43
CCNE1 P24864 1/20 0.43
CAMK2D Q13557 3/20 0.42
JAK2 O60674 3/20 0.42
PIK3CG P48736 2/20 0.42
KDR P35968 2/20 0.42
JAK3 P52333 1/20 0.42
PIK3CA P42336 1/20 0.42
PLK1 P53350 1/20 0.42
PTK2 Q05397 1/20 0.42
GSK3B P49841 4/20 0.41
IKBKB O14920 2/20 0.40
PIK3CB P42338 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL84177 0.84 MAPT (0.35)
SCHEMBL84698 0.78 KDM4E (0.37)
SCHEMBL5116755 0.74 KDM4E (0.46)
SCHEMBL67447 0.74 DGAT1 (0.40)
SCHEMBL67724 0.74 DGAT1 (0.41)
SCHEMBL68362 0.73 PIK3CG (0.37) CDK2CDK4PIK3CGPIK3CAGSK3B
SCHEMBL6212770 0.70 DGAT1 (0.37)
SCHEMBL31457439 0.70 IKBKB (0.38) ABL1EGFRPRKCAPRKCDCAMK2D
SCHEMBL31457447 0.70 IKBKB (0.38) ABL1EGFRPRKCAPRKCDCAMK2D
SCHEMBL16497632 0.70 DGAT1 (0.41)

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-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-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 ABL1 84/4885EGFR 197/4885PRKCA 654/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS ABL1 291/4885EGFR 782/4885PRKCA 219/4885

“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.