SCHEMBL17516020

SCHEMBL17516020

CC(C)C[C@@H](N)c1nc2cc(-c3ccncc3)c(F)cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 19/20 1.00
▸ TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL17494033 0.82 AAK1 (0.77) AAK1TAAR1
SCHEMBL17494046 0.81 AAK1 (1.00) AAK1TAAR1
SCHEMBL17493870 0.81 AAK1 (0.81) AAK1TAAR1
Hydrochloric Acid SCHEMBL19328169 0.80 AAK1 (0.80) AAK1TAAR1
SCHEMBL17516047 0.79 AAK1 (0.84) AAK1TAAR1
SCHEMBL17516056 0.74 AAK1 (0.83) AAK1TAAR1
SCHEMBL17494011 0.74 AAK1 (0.92) AAK1
SCHEMBL17493959 0.73 AAK1 (0.92) AAK1TAAR1
SCHEMBL17493893 0.72 AAK1 (0.82) AAK1TAAR1
SCHEMBL17494071 0.72 AAK1 (0.92) AAK1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 — — US claimed
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 — — US claimed
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 — — US disclosed
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 — — US disclosed
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 — — US disclosed
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 — — US disclosed
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 — — US disclosed
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 — — US disclosed
WO-2016022312-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-11 — — 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 (2 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-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS AAK1, NCK1, DAPK2 AAK1 1/4885TAAR1 3583/4885
US-10035777-B2 Heterocyclic kinase inhibitors AAK1, NCK1, DAPK2 AAK1 1/4885TAAR1 3583/4885

“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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