SCHEMBL3339984

SCHEMBL3339984

O=C1CCCN1CCCNc1nc(Nc2ccc(CN3CCCC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 1/20 0.51
ULK1 O75385 1/20 0.49
ULK2 Q8IYT8 1/20 0.49
CHEK1 O14757 16/20 0.49
FLT3 P36888 15/20 0.49
KIT P10721 4/20 0.49
PTK2 Q05397 1/20 0.47
LRRK2 Q5S007 1/20 0.47
AURKA O14965 1/20 0.45
RPS6KA5 O75582 1/20 0.45
RPS6KA4 O75676 1/20 0.45
RPS6KB1 P23443 1/20 0.45
CDK2 P24941 1/20 0.45
RPS6KA3 P51812 1/20 0.45
RPS6KA2 Q15349 1/20 0.45
RPS6KA1 Q15418 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
RPS6KB2 Q9UBS0 1/20 0.45
RPS6KA6 Q9UK32 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
SCHEMBL1917610 0.99 CHEK1 (0.50) STK17AULK1ULK2CHEK1FLT3
SCHEMBL1917882 0.93 ULK1 (0.55) STK17AULK1ULK2CHEK1FLT3
SCHEMBL1916758 0.91 CHEK1 (0.50) STK17AULK1ULK2CHEK1FLT3
SCHEMBL1917119 0.90 ULK1 (0.48) STK17AULK1ULK2CHEK1FLT3
SCHEMBL3305264 0.90 CHEK1 (0.51) STK17AULK1ULK2CHEK1FLT3
SCHEMBL3283074 0.89 STK17A (0.64) STK17AULK1ULK2CHEK1FLT3
SCHEMBL1918823 0.89 CHEK1 (0.49) STK17AULK1ULK2CHEK1FLT3
SCHEMBL3335498 0.89 ULK1 (0.46) STK17AULK1ULK2CHEK1FLT3
SCHEMBL1918370 0.88 LRRK2 (0.50) STK17AULK1ULK2CHEK1FLT3
SCHEMBL22673265 0.88 ULK1 (0.52) STK17AULK1ULK2CHEK1FLT3

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
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
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US 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 STK17A 1083/4885ULK1 1959/4885ULK2 2040/4885

“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.