SCHEMBL12715035

SCHEMBL12715035

COc1cc(C(=O)N[C@H]2CC[C@H](N3CCOCC3)CC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2cccc3c2C(=O)CC3)n1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 17/20 0.74
▸ LRRK2 Q5S007 1/20 0.59
▸ IGF1R P08069 2/20 0.58

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
SCHEMBL13801983 0.91 PTK2 (0.70) PTK2LRRK2IGF1R
SCHEMBL16130900 0.90 PTK2 (0.91) PTK2
SCHEMBL18949857 0.90 PTK2 (0.91) PTK2
SCHEMBL14454135 0.85 LRRK2 (0.58) PTK2LRRK2IGF1R
SCHEMBL12135104 0.85 PTK2 (1.00) PTK2
SCHEMBL12135185 0.83 PTK2 (1.00) PTK2
SCHEMBL12135107 0.82 PTK2 (1.00) PTK2
SCHEMBL12562699 0.81 LRRK2 (0.56) PTK2LRRK2IGF1R
SCHEMBL12135103 0.79 PTK2 (1.00) PTK2
SCHEMBL29381547 0.79 PTK2 (1.00) PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 — — US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 — — US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 — — US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 — — 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-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885LRRK2 1725/4885IGF1R 493/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP PTK2 833/4885LRRK2 1725/4885IGF1R 493/4885

“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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