SCHEMBL18033871

SCHEMBL18033871

CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Nc2ncnn3ccc(CN4CCC(NC(=O)OC(C)(C)C)CC4)c23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 15/20 0.64
▸ EGFR P00533 6/20 0.50
▸ ERBB2 P04626 4/20 0.49
▸ CIT O14578 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ GAK O14976 1/20 0.47
▸ STK10 O94804 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ YES1 P07947 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ RET P07949 1/20 0.47
▸ HCK P08631 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ PHKG2 P15735 1/20 0.47
▸ PRKCA P17252 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.47

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
SCHEMBL18031733 0.88 AAK1 (0.64) AAK1EGFR
SCHEMBL18011060 0.86 AAK1 (0.63) AAK1EGFRERBB2
SCHEMBL16646843 0.85 AAK1 (0.73) AAK1EGFRERBB2CITCHEK1
SCHEMBL16637743 0.84 AAK1 (0.62) AAK1EGFR
SCHEMBL14017663 0.81 AAK1 (0.74) AAK1EGFRERBB2LCK
SCHEMBL16646760 0.80 AAK1 (0.71) AAK1EGFRERBB2
SCHEMBL1220119 0.79 AAK1 (0.80) AAK1EGFRERBB2LCK
SCHEMBL16635630 0.78 AAK1 (1.00) AAK1EGFRERBB2
SCHEMBL16635633 0.78 AAK1 (1.00) AAK1EGFRERBB2
SCHEMBL16646766 0.77 AAK1 (1.00) AAK1EGFRERBB2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737542-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 — — 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-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS AAK1, DAPK2, DAPK1 AAK1 1/4885EGFR 2422/4885ERBB2 373/4885

“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.

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