SCHEMBL17153153

SCHEMBL17153153

CC(C)(C)[Si](C)(C)OCc1cccc(Nc2nccc(-c3ccc(NCCCNS(=O)(=O)c4ccccc4[N+](=O)[O-])nc3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.42
EGFR P00533 3/20 0.42
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
LCK P06239 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
ZAP70 P43403 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42
IKBKB O14920 3/20 0.39
CDK1 P06493 3/20 0.37
CDK2 P24941 3/20 0.37
ABL1 P00519 2/20 0.37
BCR P11274 2/20 0.37
MTOR P42345 2/20 0.37

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
SCHEMBL17153274 0.96 PRKCA (0.42) PRKCAEGFRPRKD3PRKCGPRKCB
SCHEMBL17155150 0.85 FLT3 (0.39) CYP19A1F13A1TGM1ALDH1A1FLT3
SCHEMBL18412555 0.84 EGFR (0.54) PRKCAEGFRPRKD3PRKCGPRKCB
SCHEMBL17153140 0.83 PRKCA (0.49) PRKCAEGFRPRKD3PRKCGPRKCB
SCHEMBL17153269 0.83 EGFR (0.59) PRKCAEGFRPRKD3PRKCGPRKCB
SCHEMBL18412553 0.79 PRKCA (0.46) PRKCAEGFRPRKD3PRKCGPRKCB
SCHEMBL17153051 0.77 EGFR (0.47) PRKCAEGFRPRKD3PRKCGPRKCB
SCHEMBL17153131 0.74 ABL1 (0.47) PRKCAEGFRPRKCDABL1BCR
SCHEMBL17152843 0.74 PRKCA (0.42) PRKCAEGFRPRKD3PRKCGPRKCB
SCHEMBL18412554 0.72 PRKCA (0.42) PRKCAEGFRPRKD3PRKCGPRKCB

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-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
EP-3126364-B1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-02-07 EP disclosed
US-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
WO-2015150555-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 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 (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-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES EEF2K, VPS26B, VPS28 PRKCA 2842/4885EGFR 3903/4885PRKD3 1378/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 PRKCA 2842/4885EGFR 3903/4885PRKD3 1378/4885

“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.