SCHEMBL1612594

SCHEMBL1612594

CCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3cccc4c3C(=O)NC4)n2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.59
▸ PTK2 Q05397 14/20 0.55
▸ ALK Q9UM73 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
SCHEMBL1613960 0.88 PTK2 (0.62) LRRK2PTK2
SCHEMBL1612637 0.83 PTK2 (0.66) LRRK2PTK2
SCHEMBL5568489 0.82 LRRK2 (0.64) LRRK2PTK2ALK
SCHEMBL24620221 0.79 MAP4K1 (0.53) LRRK2ALK
SCHEMBL24620306 0.78 ALK (0.52) LRRK2ALK
SCHEMBL24620173 0.78 ALK (0.52) LRRK2ALK
SCHEMBL1611693 0.78 LRRK2 (0.68) LRRK2PTK2
SCHEMBL12998416 0.77 LRRK2 (0.65) LRRK2PTK2
SCHEMBL24620496 0.76 MAP4K1 (0.70) —
SCHEMBL24620500 0.76 MAP4K1 (0.70) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 — — EP disclosed
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-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — 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-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
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 — — US disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 — — 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 (4 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LRRK2 1725/4885PTK2 833/4885ALK 2657/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LRRK2 1725/4885PTK2 833/4885ALK 2657/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LRRK2 1725/4885PTK2 833/4885ALK 2657/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LRRK2 1725/4885PTK2 833/4885ALK 2657/4885

“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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