SCHEMBL16635617

SCHEMBL16635617

COc1cc(Nc2ncnn3ccc(C)c23)cc(-c2noc(C(C)C)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 19/20 1.00
▸ EGFR P00533 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ FLT4 P35916 1/20 0.45
▸ KDR P35968 1/20 0.45

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
SCHEMBL16638006 0.87 AAK1 (1.00) AAK1EGFRFLT1FLT4KDR
SCHEMBL16635587 0.85 AAK1 (1.00) AAK1EGFRFLT1FLT4KDR
SCHEMBL20184198 0.73 AAK1 (0.79) AAK1
SCHEMBL16636896 0.72 AAK1 (1.00) AAK1EGFRKDR
SCHEMBL16636115 0.72 AAK1 (1.00) AAK1EGFRKDR
SCHEMBL16636472 0.70 AAK1 (1.00) AAK1EGFRKDR
SCHEMBL16635635 0.70 AAK1 (1.00) AAK1EGFR
SCHEMBL16636166 0.70 AAK1 (1.00) AAK1
SCHEMBL16636920 0.70 AAK1 (1.00) AAK1EGFR
SCHEMBL16635946 0.69 AAK1 (1.00) AAK1EGFR

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 13 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 claimed
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 — — US claimed
EP-3054955-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-08-17 — — EP claimed
WO-2015054358-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-16 — — WO claimed
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 — — EP disclosed
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-9737542-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US 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
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 — — US disclosed
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 — — US disclosed
WO-2015054358-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-16 — — WO 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 2422/4885FLT1 2645/4885

“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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