SCHEMBL1916640

SCHEMBL1916640

NCC1CCC(CNc2nc(Nc3cccc(Br)c3)ncc2C(F)(F)F)CC1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.79
FLT3 P36888 5/20 0.53
CHEK1 O14757 3/20 0.50
SYK P43405 1/20 0.48
KDR P35968 1/20 0.48
PTK2 Q05397 2/20 0.48
PTK2B Q14289 1/20 0.47

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
SCHEMBL1917739 0.89 PRKCQ (1.00) PRKCQFLT3CHEK1
SCHEMBL1917777 0.88 PRKCQ (0.71) PRKCQFLT3CHEK1PTK2
SCHEMBL1916646 0.88 PRKCQ (0.78) PRKCQFLT3CHEK1PTK2
SCHEMBL1917067 0.87 CHEK1 (0.65) PRKCQFLT3CHEK1SYKKDR
SCHEMBL3283696 0.83 PRKCQ (0.78) PRKCQFLT3CHEK1
SCHEMBL1917236 0.82 PRKCQ (0.81) PRKCQFLT3CHEK1PTK2
SCHEMBL1919021 0.81 PRKCQ (0.81) PRKCQ
SCHEMBL1917385 0.81 STK17A (0.67) FLT3CHEK1KDR
SCHEMBL1918495 0.81 PRKCQ (0.53) PRKCQFLT3SYKKDR
SCHEMBL1937646 0.80 PRKCQ (0.66) PRKCQFLT3CHEK1SYKPTK2

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 8 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
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
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 PRKCQ 3224/4885FLT3 278/4885CHEK1 409/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PRKCQ 3224/4885FLT3 278/4885CHEK1 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.