SCHEMBL18011045

SCHEMBL18011045

N#Cc1cc(Nc2ncnn3c(Br)cc(CN4CCC(NC(=O)O)CC4)c23)c2[nH]ccc2c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.81
▸ PRKAA2 P54646 4/20 0.34
▸ CHRM4 P08173 2/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ EGFR P00533 3/20 0.32
▸ ERBB2 P04626 3/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ UTS2R Q9UKP6 1/20 0.32

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
SCHEMBL16646772 0.90 AAK1 (1.00) AAK1PRKAA2JAK2JAK1
SCHEMBL18011047 0.81 AAK1 (0.60) AAK1
SCHEMBL16646856 0.74 AAK1 (0.72) AAK1JAK2JAK1
SCHEMBL20194244 0.72 AAK1 (0.54) AAK1EGFRERBB2
SCHEMBL18011053 0.71 AAK1 (0.80) AAK1EGFRERBB2
SCHEMBL18011046 0.69 AAK1 (0.61) AAK1
SCHEMBL18011044 0.69 AAK1 (0.78) AAK1PRKAA2EGFRERBB2
SCHEMBL18011043 0.64 AAK1 (0.80) AAK1EGFRERBB2
SCHEMBL4322112 0.62 AAK1 (0.66) AAK1EGFRERBB2
SCHEMBL4341416 0.62 AAK1 (0.66) AAK1EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 — — EP disclosed
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 1/4885PRKAA2 102/4885CHRM4 4824/4885

“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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