SCHEMBL12826747

SCHEMBL12826747

COc1cc(C(=O)NC2CCC(N(C)C)CC2)ccc1Nc1ncc(C(F)(F)F)c(N[C@@H]2CCCC[C@H]2N(C)C(C)=O)n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 12/20 0.62
▸ PTK2B Q14289 1/20 0.62
▸ LRRK2 Q5S007 7/20 0.59
▸ AURKA O14965 1/20 0.52
▸ AURKB Q96GD4 1/20 0.52

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
SCHEMBL12826582 0.92 LRRK2 (0.72) PTK2LRRK2AURKAAURKB
SCHEMBL12826714 0.90 LRRK2 (0.61) PTK2PTK2BLRRK2AURKAAURKB
SCHEMBL12826858 0.90 LRRK2 (0.61) PTK2PTK2BLRRK2AURKAAURKB
SCHEMBL12826860 0.89 LRRK2 (0.62) PTK2PTK2BLRRK2AURKAAURKB
SCHEMBL12826577 0.89 LRRK2 (0.62) PTK2PTK2BLRRK2AURKAAURKB
SCHEMBL12826743 0.89 LRRK2 (0.62) PTK2PTK2BLRRK2AURKAAURKB
SCHEMBL12826962 0.89 LRRK2 (0.69) PTK2PTK2BLRRK2
SCHEMBL12826951 0.88 PTK2 (0.61) PTK2PTK2BLRRK2
SCHEMBL12826709 0.88 LRRK2 (0.61) PTK2PTK2BLRRK2
SCHEMBL12826567 0.87 LRRK2 (0.75) PTK2PTK2BLRRK2AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051674-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-20 — — US disclosed
US-20110071158-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 — — 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 (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-20140051674-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 PTK2 1621/4885PTK2B 2420/4885LRRK2 1540/4885
US-20110071158-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 PTK2 1621/4885PTK2B 2420/4885LRRK2 1540/4885

“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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