Sugi Predict

Sugi Predict / Compounds / SCHEMBL2206597

SCHEMBL2206597

SCHEMBL2206597

CN(C)CC=CC(=O)Nc1cccc(Nc2cc(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncn2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.68
▸ ERBB2 P04626 11/20 0.68
▸ SRC P12931 2/20 0.58
▸ KDR P35968 2/20 0.58
▸ PIP4K2A P48426 3/20 0.58
▸ PIP4K2B P78356 3/20 0.58
▸ LCK P06239 2/20 0.57
▸ STK25 O00506 1/20 0.57
▸ MAP2K7 O14733 1/20 0.57
▸ CHEK1 O14757 1/20 0.57
▸ GAK O14976 1/20 0.57
▸ EPHB6 O15197 1/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ MAP3K13 O43283 1/20 0.57
▸ NUAK1 O60285 1/20 0.57
▸ STK17B O94768 1/20 0.57
▸ STK10 O94804 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57

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
SCHEMBL691915 1.00 EGFR (0.68) EGFRERBB2SRCKDRPIP4K2A
SCHEMBL13857444 0.91 PIP4K2A (0.58) EGFRERBB2KDRPIP4K2APIP4K2B
SCHEMBL16158790 0.90 ERBB2 (0.56) EGFRERBB2LCKKCNH2
SCHEMBL13883715 0.86 PIP4K2A (0.61) EGFRERBB2PIP4K2APIP4K2BERBB4
SCHEMBL691817 0.86 EGFR (0.70) EGFRERBB2LCKJAK3ERBB4
SCHEMBL13541426 0.85 EGFR (0.52) EGFRERBB2SRCKDRPIP4K2A
SCHEMBL12262309 0.85 EGFR (0.73) EGFRERBB2JAK3ERBB4
SCHEMBL14213730 0.84 EGFR (0.52) EGFRERBB2SRCKDRPIP4K2A
SCHEMBL29195645 0.84 EGFR (0.63) EGFRERBB2SRCKDRLCK
SCHEMBL11903198 0.83 EGFR (0.74) EGFRERBB2SRCKDRLCK

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-8445498-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-21 — — US disclosed
US-8329901-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2012-12-11 — — US disclosed
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — US disclosed
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-15 — — US disclosed
US-7989465-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-08-02 — — US disclosed
US-7982036-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-07-19 — — US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 — — 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-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885SRC 526/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885SRC 526/4885
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885SRC 526/4885

“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.