SCHEMBL4811602

SCHEMBL4811602

CC(C)(C)OC(=O)NC1CCN(Cc2ccn3ncnc(Oc4ccc(N)cc4F)c23)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.63
MET P08581 13/20 0.57
NTRK1 P04629 1/20 0.54
EGFR P00533 3/20 0.42
ERBB2 P04626 3/20 0.42
LCK P06239 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL14017677 0.95 AAK1 (0.57) AAK1METNTRK1EGFRERBB2
SCHEMBL14017676 0.95 AAK1 (0.57) AAK1METNTRK1EGFRERBB2
SCHEMBL14017679 0.92 AAK1 (0.54) AAK1METNTRK1
SCHEMBL14017672 0.90 MET (0.55) AAK1METNTRK1EGFRERBB2
SCHEMBL4817297 0.90 MET (0.61) AAK1METNTRK1EGFRERBB2
SCHEMBL14017710 0.85 MET (0.54) AAK1METNTRK1EGFRERBB2
SCHEMBL4822868 0.85 MET (0.56) AAK1METNTRK1EGFRERBB2
SCHEMBL4819894 0.84 MET (0.62) AAK1METNTRK1EGFRERBB2
SCHEMBL15946933 0.83 MET (0.54) AAK1METNTRK1EGFRERBB2
SCHEMBL4821156 0.83 MET (0.58) AAK1METNTRK1EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
EP-1768983-A2 FUSED HETEROCYCLIC KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-04 EP disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
WO-2006004636-A2 FUSED HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 WO disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 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 (5 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 AAK1 204/4885MET 721/4885NTRK1 599/4885
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 AAK1 419/4885MET 206/4885NTRK1 252/4885
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 AAK1 419/4885MET 206/4885NTRK1 252/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 AAK1 120/4885MET 2109/4885NTRK1 483/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 AAK1 419/4885MET 206/4885NTRK1 252/4885

“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.