SCHEMBL1917119

SCHEMBL1917119

O=C1CCCN1CCCNc1nc(Nc2cccc(CN3CCCC3)c2)ncc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.48
ULK2 Q8IYT8 3/20 0.48
CHEK1 O14757 14/20 0.48
FLT3 P36888 14/20 0.48
KIT P10721 4/20 0.48
TYRO3 Q06418 1/20 0.47
LRRK2 Q5S007 1/20 0.46
NUAK1 O60285 1/20 0.45
MARK3 P27448 1/20 0.45
PRKAA2 P54646 1/20 0.45
SIK1 P57059 1/20 0.45
PRKAA1 Q13131 1/20 0.45
IKBKE Q14164 1/20 0.45
MELK Q14680 1/20 0.45
PDK1 Q15118 1/20 0.45
MARK2 Q7KZI7 1/20 0.45
MARK4 Q96L34 1/20 0.45
NUAK2 Q9H093 1/20 0.45
SIK2 Q9H0K1 1/20 0.45
MARK1 Q9P0L2 1/20 0.45

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
SCHEMBL1918823 0.99 CHEK1 (0.49) ULK1ULK2CHEK1FLT3KIT
SCHEMBL1918968 0.94 ULK1 (0.55) ULK1ULK2CHEK1FLT3KIT
SCHEMBL3339984 0.90 STK17A (0.51) ULK1ULK2CHEK1FLT3KIT
SCHEMBL1917610 0.89 CHEK1 (0.50) ULK1ULK2CHEK1FLT3KIT
SCHEMBL1917790 0.89 TYRO3 (0.50) ULK1ULK2CHEK1FLT3KIT
SCHEMBL1918098 0.88 ULK1 (0.51) ULK1ULK2CHEK1FLT3KIT
SCHEMBL1917630 0.87 TYRO3 (0.49) ULK1ULK2CHEK1FLT3KIT
SCHEMBL3283998 0.87 PRKCQ (0.55) ULK1ULK2CHEK1FLT3KIT
SCHEMBL3284417 0.87 CHEK1 (0.51) ULK1ULK2CHEK1FLT3KIT
SCHEMBL3283636 0.86 CHEK1 (0.53) ULK1ULK2CHEK1FLT3KIT

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-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
EP-2332924-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-06-15 EP disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 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-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD ULK1 1959/4885ULK2 2040/4885CHEK1 409/4885

“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.