SCHEMBL9945446

SCHEMBL9945446

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCOCC4)cc3OC)ncc2C)c1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.86
JAK3 P52333 1/20 0.69
BTK Q06187 1/20 0.67

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
SCHEMBL9945469 0.97 EGFR (0.82) EGFRJAK3
SCHEMBL18778504 0.94 EGFR (0.83) EGFRJAK3BTK
SCHEMBL2722635 0.92 EGFR (1.00) EGFRJAK3BTK
SCHEMBL9946944 0.92 EGFR (0.84) EGFRJAK3BTK
SCHEMBL18371447 0.92 JAK3 (0.81) EGFRJAK3BTK
SCHEMBL9945453 0.91 EGFR (0.82) EGFRJAK3BTK
SCHEMBL9946941 0.91 EGFR (0.71) EGFRJAK3BTK
SCHEMBL9945462 0.91 EGFR (0.81) EGFRJAK3BTK
SCHEMBL9946969 0.91 EGFR (0.72) EGFRJAK3BTK
SCHEMBL9945477 0.90 EGFR (0.86) EGFRJAK3BTK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867824-B2 Heterocyclic compounds and uses thereof CELGENE CAR LLC (BM) 2018-01-16 US disclosed
US-20170027937-A1 Heterocyclic Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY 2017-02-02 US disclosed
US-9375431-B2 2,4-disubstituted pyrimidine compounds useful as kinase inhibtors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-28 US disclosed
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2015-09-03 US disclosed
US-8975249-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-03-10 US disclosed
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-06-14 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 (3 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-20170027937-A1 Heterocyclic Compounds and Uses Thereof ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885JAK3 741/4885BTK 988/4885
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885JAK3 741/4885BTK 988/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885JAK3 741/4885BTK 988/4885

“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.