SCHEMBL1917039

SCHEMBL1917039

CC(=O)NCCNc1nc(Nc2ccc(Br)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 4/20 0.57
STK17B O94768 2/20 0.57
CHEK1 O14757 6/20 0.55
FLT3 P36888 6/20 0.55
PTK2 Q05397 10/20 0.49
JAK2 O60674 1/20 0.49
NTRK1 P04629 1/20 0.49
TYK2 P29597 1/20 0.49
KDR P35968 1/20 0.49
JAK3 P52333 1/20 0.49
PTK2B Q14289 1/20 0.49
NTRK3 Q16288 1/20 0.49
NTRK2 Q16620 1/20 0.49
KIT P10721 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
Hydrochloric Acid SCHEMBL1917894 0.90 CHEK1 (0.57) STK17ASTK17BCHEK1FLT3PTK2
SCHEMBL1916603 0.89 CHEK1 (0.58) STK17ASTK17BCHEK1FLT3PTK2
SCHEMBL1916672 0.88 CHEK1 (0.55) STK17ASTK17BCHEK1FLT3PTK2
SCHEMBL1917979 0.86 CHEK1 (0.53) STK17ASTK17BCHEK1FLT3PTK2
SCHEMBL1916652 0.86 PTK2 (0.55) STK17ACHEK1FLT3PTK2JAK2
SCHEMBL1919055 0.86 STK17A (0.70) STK17ASTK17BCHEK1FLT3PTK2
SCHEMBL1916375 0.86 FLT3 (0.64) STK17ACHEK1FLT3PTK2JAK2
SCHEMBL3284612 0.86 CHEK1 (0.60) STK17ASTK17BCHEK1FLT3PTK2
SCHEMBL3284415 0.85 PTK2 (0.53) STK17ASTK17BCHEK1FLT3PTK2
SCHEMBL3288100 0.85 PRKCQ (0.58) STK17ACHEK1FLT3PTK2

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 12 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-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
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP 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
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 WO 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.