SCHEMBL1916705

SCHEMBL1916705

CN1CCC(CNc2nc(Nc3ccccc3)ncc2C(F)(F)F)CC1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.72
PRKCQ Q04759 2/20 0.59
FLT3 P36888 10/20 0.59
MAP4K1 Q92918 1/20 0.53
PTK2 Q05397 3/20 0.51
SYK P43405 1/20 0.49

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
SCHEMBL1918611 0.90 CHEK1 (0.72) CHEK1PRKCQFLT3PTK2SYK
SCHEMBL1916305 0.90 CHEK1 (0.72) CHEK1PRKCQFLT3PTK2SYK
SCHEMBL1917067 0.88 CHEK1 (0.65) CHEK1PRKCQFLT3PTK2SYK
SCHEMBL1916416 0.85 CHEK1 (0.69) CHEK1PRKCQFLT3
SCHEMBL1916646 0.85 PRKCQ (0.78) CHEK1PRKCQFLT3PTK2
SCHEMBL28387322 0.84 CHEK1 (1.00) CHEK1
SCHEMBL1916707 0.77 JAK3 (0.57) CHEK1MAP4K1PTK2
SCHEMBL1937645 0.76 PRKCQ (0.65) CHEK1PRKCQFLT3PTK2
SCHEMBL1917777 0.75 PRKCQ (0.71) CHEK1PRKCQFLT3PTK2
SCHEMBL1917236 0.75 PRKCQ (0.81) CHEK1PRKCQFLT3PTK2

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 7 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
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 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
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 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 (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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD CHEK1 409/4885PRKCQ 3224/4885FLT3 278/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD CHEK1 409/4885PRKCQ 3224/4885FLT3 278/4885

“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.