SCHEMBL5568353

SCHEMBL5568353

CCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3C(C)=O)n2)c(Oc2ccccc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.53
▸ PTK2 Q05397 8/20 0.51
▸ INSR P06213 1/20 0.48
▸ IGF1R P08069 1/20 0.48
▸ ALK Q9UM73 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ NTRK1 P04629 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ PTK2B Q14289 1/20 0.48
▸ NTRK3 Q16288 1/20 0.48
▸ NTRK2 Q16620 1/20 0.48
▸ MAPK3 P27361 2/20 0.46
▸ ULK1 O75385 1/20 0.43

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
SCHEMBL14454132 0.87 PTK2 (0.51) LRRK2PTK2INSRIGF1RALK
SCHEMBL16271039 0.81 LRRK2 (0.48) LRRK2PTK2JAK2NTRK1TYK2
SCHEMBL5568489 0.76 LRRK2 (0.64) LRRK2PTK2ALKJAK2NTRK1
SCHEMBL1611693 0.75 LRRK2 (0.68) LRRK2PTK2
SCHEMBL1613960 0.73 PTK2 (0.62) LRRK2PTK2
SCHEMBL1612594 0.73 LRRK2 (0.59) LRRK2PTK2ALK
SCHEMBL1612637 0.70 PTK2 (0.66) LRRK2PTK2
SCHEMBL12065489 0.70 LRRK2 (1.00) LRRK2PTK2
SCHEMBL5563903 0.70 CDC7 (0.55) PTK2JAK2NTRK1TYK2KDR
SCHEMBL26160701 0.69 PTK2 (0.74) PTK2ALKMAPK3

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
EP-1751118-B1 PYRIMIDINES FOR USE AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-12-03 — — EP disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 — — US disclosed
US-20050261295-A1 2-Anilino-4-amino-, -oxy- or -thio-substituted, e.g., 2-(2-methoxy-4-N-propylcarbamoyl-phenylamino)-4-(2-carboxy-3-fluoro-phenylamino)-5-trifluoromethyl-pyrimidine; and 3-anilino--5-amino-, -oxy- or -thio-substituted 1,2,4-triazines; antiproliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 — — US disclosed
EP-1598343-A1 2-Arylaminopyrimidine derivatives as PLK inhibitors Boehringer Ingelheim International GmbH (DE) 2005-11-23 — — EP 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 (1 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-20050261295-A1 2-Anilino-4-amino-, -oxy- or -thio-substituted, e.g., 2-(2-methoxy-4-N-propylcarbamoyl-phenylamino)-4-(2-carboxy-3-fluoro-phenylamino)-5-trifluoromethyl-pyrimidine; and 3-anilino--5-amino-, -oxy- or -thio-substituted 1,2,4-triazines; antiproliferative agents MKI67, CCNY, CCNO LRRK2 3385/4885PTK2 2484/4885INSR 790/4885

“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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