SCHEMBL9945479

SCHEMBL9945479

C=CC(=O)Nc1cccc(Oc2nc(Cl)ncc2Br)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.65
EGFR P00533 12/20 0.62
ITK Q08881 3/20 0.56
CTSC P53634 2/20 0.52
MAP2K7 O14733 1/20 0.50
JAK2 O60674 1/20 0.50
BLK P51451 1/20 0.50
BMX P51813 1/20 0.50
JAK3 P52333 1/20 0.50

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
SCHEMBL9945484 0.89 EGFR (0.67) BTKEGFRITKCTSCJAK2
SCHEMBL29534445 0.89 EGFR (0.67) BTKEGFRITKCTSCJAK2
SCHEMBL16370708 0.87 EGFR (0.73) BTKEGFRITKCTSC
SCHEMBL9945482 0.87 EGFR (0.57) BTKEGFRITKCTSCMAP2K7
SCHEMBL16391074 0.85 EGFR (0.65) BTKEGFRITKCTSCJAK2
SCHEMBL9946937 0.84 EGFR (0.66) BTKEGFRITK
SCHEMBL4175660 0.81 EGFR (0.45) BTKEGFR
SCHEMBL29537718 0.81 EGFR (0.45) BTKEGFR
SCHEMBL23899138 0.80 MAP2K7 (0.59) BTKEGFRITKCTSCMAP2K7
SCHEMBL21358332 0.80 EGFR (0.59) BTKEGFRITKCTSCJAK2

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 10 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-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-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-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
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 BTK 988/4885EGFR 2849/4885ITK 2206/4885
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 BTK 988/4885EGFR 2849/4885ITK 2206/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 BTK 988/4885EGFR 2849/4885ITK 2206/4885

“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.