SCHEMBL17152829

SCHEMBL17152829

Clc1ccc(-c2ccnc(Nc3cccc(C4OCCO4)c3)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.51
BCR P11274 8/20 0.51
PRKCA P17252 4/20 0.51
PRKCD Q05655 2/20 0.51
CAMK2D Q13557 4/20 0.47
SRC P12931 4/20 0.46
EGFR P00533 3/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
SMG1 Q96Q15 1/20 0.46
PIK3CG P48736 4/20 0.44
PIK3CA P42336 3/20 0.44
PIK3CB P42338 2/20 0.44
MAPK8 P45983 1/20 0.43
GSK3B P49841 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
PLK1 P53350 1/20 0.43

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
SCHEMBL17153255 0.88 ABL1 (0.51) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL3510842 0.81 ABL1 (0.75) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL4384844 0.77 JAK2 (0.63) PLK1JAK2JAK3
SCHEMBL17152799 0.76 ABL1 (0.55) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL8837810 0.71 PRKCA (0.80) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL17153131 0.71 ABL1 (0.47) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL17153250 0.71 ABL1 (0.48) ABL1BCRPRKCAPRKCDCAMK2D
SCHEMBL6957358 0.70 PIK3CG (0.60) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL3265844 0.70 CTSC (0.48) JAK2JAK3
SCHEMBL6955263 0.70 PIK3CG (0.59) PRKCAPRKCDSRCEGFRCDK2

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 3 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
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 (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-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 ABL1 3037/4885BCR 4756/4885PRKCA 2842/4885

“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.