SCHEMBL12657058

SCHEMBL12657058

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(NCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.75
▸ PTK2 Q05397 19/20 0.67

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
SCHEMBL12628001 0.91 BRD4 (0.67) LRRK2PTK2
SCHEMBL1816287 0.91 LRRK2 (0.78) LRRK2PTK2
SCHEMBL1532262 0.89 LRRK2 (0.76) LRRK2PTK2
SCHEMBL12656975 0.88 LRRK2 (0.81) LRRK2PTK2
SCHEMBL7449659 0.86 LRRK2 (1.00) LRRK2PTK2
SCHEMBL13191369 0.83 LRRK2 (0.81) LRRK2PTK2
SCHEMBL1376283 0.82 LRRK2 (0.80) LRRK2PTK2
SCHEMBL13191068 0.81 LRRK2 (0.81) LRRK2PTK2
SCHEMBL1466032 0.81 LRRK2 (0.81) LRRK2PTK2
SCHEMBL12826692 0.81 LRRK2 (0.76) LRRK2PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 — — US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 — — US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 — — US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 — — 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 (3 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-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK LRRK2 574/4885PTK2 66/4885
US-10662195-B2 Protein kinase conjugates and inhibitors MAP3K20, ADK, TTK LRRK2 574/4885PTK2 66/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 LRRK2 572/4885PTK2 71/4885

“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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