SCHEMBL14769570

SCHEMBL14769570

C=CC(=O)Nc1cccc(Nc2cc(Nc3cccc(C4CC4)c3)ncn2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.54
JAK3 P52333 7/20 0.48
JAK1 P23458 4/20 0.44
JAK2 O60674 4/20 0.43
ITK Q08881 1/20 0.43
ERBB2 P04626 2/20 0.42
ERBB4 Q15303 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41

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
SCHEMBL12262368 0.84 JAK3 (0.64) EGFRJAK3JAK1JAK2ITK
SCHEMBL12262374 0.83 MAP2K7 (0.54) EGFRERBB2
SCHEMBL12282888 0.79 EGFR (0.54) EGFRJAK3ITKERBB2
SCHEMBL15807915 0.77 TGM2 (0.58) EGFRJAK3
SCHEMBL12262344 0.76 EGFR (0.57) EGFRJAK3ITKERBB2
SCHEMBL691538 0.74 EGFR (0.79) EGFRJAK3JAK1JAK2ITK
SCHEMBL27339286 0.72 PRCP (0.49) EGFRERBB4TUBB4ATUBBTUBA3C
SCHEMBL13883720 0.71 MAP2K7 (0.42) EGFRJAK3JAK1JAK2ERBB2
SCHEMBL690075 0.71 EGFR (0.74) EGFRJAK3JAK1JAK2ITK
SCHEMBL691474 0.71 EGFR (1.00) EGFRJAK3ITKERBB2ERBB4

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-8748606-B2 4,6-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-10 US disclosed
US-8748606-B2 4,6-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-10 US disclosed
US-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 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 (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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885JAK3 439/4885JAK1 2115/4885

“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.