Sugi Predict

Sugi Predict / Compounds / SCHEMBL9945458

SCHEMBL9945458

SCHEMBL9945458

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C(=O)NC)CC4)cc3OC)ncc2C)c1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.83
▸ PLK4 O00444 1/20 0.72
▸ GAK O14976 1/20 0.72
▸ NUAK1 O60285 1/20 0.72
▸ JAK2 O60674 1/20 0.72
▸ FLT3 P36888 1/20 0.72
▸ BLK P51451 1/20 0.72
▸ BMX P51813 1/20 0.72
▸ JAK3 P52333 1/20 0.72
▸ CTSC P53634 1/20 0.72
▸ PTK2 Q05397 1/20 0.72
▸ BTK Q06187 1/20 0.72
▸ ITK Q08881 1/20 0.72
▸ ERBB4 Q15303 1/20 0.72
▸ DCLK3 Q9C098 1/20 0.72
▸ NUAK2 Q9H093 1/20 0.72
▸ EML4 Q9HC35 1/20 0.72
▸ EIF2AK4 Q9P2K8 1/20 0.72
▸ ALK Q9UM73 1/20 0.72

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
SCHEMBL9945486 0.94 EGFR (0.82) EGFRPLK4GAKNUAK1JAK2
SCHEMBL9945450 0.93 EGFR (0.85) EGFRPLK4GAKNUAK1JAK2
SCHEMBL15130588 0.92 EGFR (0.85) EGFRPLK4GAKNUAK1JAK2
SCHEMBL9945451 0.91 EGFR (0.86) EGFRPLK4GAKNUAK1JAK2
SCHEMBL2731806 0.91 EGFR (1.00) EGFRGAKJAK3PTK2BTK
SCHEMBL9945489 0.90 EGFR (0.86) EGFRPLK4GAKNUAK1JAK2
SCHEMBL9945445 0.89 EGFR (0.86) EGFRPLK4GAKNUAK1JAK2
SCHEMBL9945471 0.89 EGFR (0.87) EGFRPLK4GAKNUAK1JAK2
SCHEMBL9945460 0.89 EGFR (0.83) EGFRPLK4GAKNUAK1JAK2
SCHEMBL9945459 0.89 EGFR (0.86) EGFRPLK4GAKNUAK1JAK2

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 7 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
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 2849/4885PLK4 3216/4885GAK 1852/4885
US-20150246040-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885PLK4 3216/4885GAK 1852/4885
US-20120149687-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 EGFR 2849/4885PLK4 3216/4885GAK 1852/4885

“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.