SCHEMBL12826445

SCHEMBL12826445

CCN1CCC(NC(=O)c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(C)=O)n3)c(OC)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.63
▸ INSR P06213 1/20 0.60
▸ ALK Q9UM73 1/20 0.60
▸ AURKA O14965 1/20 0.59
▸ AURKB Q96GD4 1/20 0.59
▸ BRD4 O60885 1/20 0.55
▸ IGF1R P08069 2/20 0.54
▸ PTK2 Q05397 2/20 0.54
▸ EGFR P00533 1/20 0.52
▸ PLK1 P53350 1/20 0.52
▸ PLK3 Q9H4B4 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
SCHEMBL12826573 0.92 AURKA (0.70) LRRK2AURKAAURKBBRD4IGF1R
SCHEMBL12826568 0.91 AURKA (0.59) LRRK2INSRALKAURKAAURKB
SCHEMBL12826705 0.90 LRRK2 (0.64) LRRK2AURKAAURKBBRD4IGF1R
SCHEMBL12826565 0.89 LRRK2 (0.66) LRRK2AURKAAURKBPTK2
SCHEMBL12826690 0.89 LRRK2 (0.66) LRRK2AURKAAURKBPTK2
SCHEMBL12826703 0.88 LRRK2 (0.67) LRRK2INSRALKAURKAAURKB
SCHEMBL16995435 0.88 PTK2 (0.68) LRRK2ALKAURKAAURKBBRD4
SCHEMBL12826702 0.87 LRRK2 (0.62) LRRK2AURKAAURKBBRD4PTK2
SCHEMBL12826701 0.87 LRRK2 (0.60) LRRK2INSRALKPTK2
SCHEMBL12826742 0.86 LRRK2 (0.65) LRRK2

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-2408752-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-08-12 — — EP disclosed
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
WO-2010106097-A1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — WO 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 LRRK2 1540/4885INSR 6/4885ALK 2070/4885
US-20110071158-A1 NEW COMPOUNDS CCNA1, MKI67, CCNT1 LRRK2 1540/4885INSR 6/4885ALK 2070/4885

“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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