SCHEMBL3286972

SCHEMBL3286972

CSCCNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 6/20 0.55
STK17B O94768 3/20 0.54
CHEK1 O14757 10/20 0.50
FLT3 P36888 6/20 0.50
ULK1 O75385 2/20 0.48
KIT P10721 1/20 0.47
PTK2 Q05397 2/20 0.46
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.46
TYK2 P29597 1/20 0.46
KDR P35968 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2B Q14289 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46

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
SCHEMBL1916937 0.87 STK17A (0.60) STK17ASTK17BCHEK1FLT3KIT
SCHEMBL1916874 0.87 STK17A (0.60) STK17ASTK17BCHEK1FLT3KIT
SCHEMBL1916314 0.86 STK17A (0.67) STK17ASTK17BCHEK1FLT3KIT
SCHEMBL1917504 0.86 STK17A (0.58) STK17ASTK17BCHEK1FLT3ULK1
SCHEMBL3285299 0.85 ULK1 (0.64) STK17ASTK17BCHEK1FLT3ULK1
SCHEMBL1916737 0.85 CHEK1 (0.58) STK17ASTK17BCHEK1FLT3ULK1
SCHEMBL1916678 0.85 STK17A (0.60) STK17ASTK17BCHEK1FLT3PTK2
SCHEMBL3290719 0.84 STK17A (0.62) STK17ASTK17BCHEK1FLT3KIT
SCHEMBL1917864 0.84 STK17A (0.78) STK17ASTK17BCHEK1FLT3KIT
SCHEMBL1917050 0.83 STK17A (0.59) STK17ASTK17BCHEK1FLT3ULK1

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 9 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
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-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 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 (3 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 STK17A 1083/4885STK17B 983/4885CHEK1 409/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR STK17A 2304/4885STK17B 2593/4885CHEK1 3237/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD STK17A 1083/4885STK17B 983/4885CHEK1 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.