SCHEMBL18165623

SCHEMBL18165623

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC)cc3)ncc2C)c1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.82
BTK Q06187 9/20 0.82
ITK Q08881 7/20 0.76
JAK2 O60674 1/20 0.66
LYN P07948 1/20 0.66
TEC P42680 1/20 0.66
TXK P42681 1/20 0.66
BMX P51813 1/20 0.66
JAK3 P52333 1/20 0.66
CD69 Q07108 1/20 0.66

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
SCHEMBL14769280 0.93 EGFR (0.81) EGFRBTKITK
SCHEMBL2346314 0.90 EGFR (1.00) EGFRBTKITKJAK2LYN
SCHEMBL28080977 0.90 BTK (0.88) EGFRBTKITKJAK3
SCHEMBL26158821 0.90 EGFR (0.82) EGFRBTKITKJAK2LYN
SCHEMBL2352426 0.90 BTK (1.00) EGFRBTKITKJAK3
SCHEMBL2230183 0.90 BTK (1.00) EGFRBTKITKJAK3
SCHEMBL13165498 0.89 BTK (0.70) EGFRBTKITKJAK3
SCHEMBL14769288 0.88 EGFR (0.82) EGFRBTKITK
SCHEMBL13165494 0.88 BTK (0.84) EGFRBTKITKJAK3
SCHEMBL9923758 0.88 EGFR (0.82) EGFRBTKITK

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-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 US disclosed
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 US disclosed
US-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-10-20 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-20160303121-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885ITK 2697/4885

“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.