SCHEMBL1916617

SCHEMBL1916617

O=C(O)CC(Nc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
PTK2 Q05397 8/20 0.47
PTK2B Q14289 2/20 0.47
JAK2 O60674 1/20 0.47
NTRK1 P04629 1/20 0.47
TYK2 P29597 1/20 0.47
KDR P35968 1/20 0.47
JAK3 P52333 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
SYK P43405 1/20 0.45
EGFR P00533 1/20 0.45
IRAK4 Q9NWZ3 3/20 0.45
CDC7 O00311 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
CDK7 P50613 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
SCHEMBL1916072 0.87 PTK2 (0.50) GSK3AGSK3BPTK2PTK2BJAK2
SCHEMBL1917660 0.85 GSK3A (0.53) GSK3AGSK3BPTK2PTK2BJAK2
SCHEMBL1916914 0.84 GSK3A (0.51) GSK3AGSK3BPTK2PTK2BJAK2
SCHEMBL1918171 0.82 PTK2 (0.49) GSK3AGSK3BPTK2PTK2BJAK2
SCHEMBL3291460 0.82 PTK2 (0.49) GSK3AGSK3BPTK2PTK2BJAK2
SCHEMBL3284052 0.81 PTK2 (0.46) GSK3AGSK3BPTK2PTK2BJAK2
SCHEMBL3284338 0.81 PTK2 (0.52) GSK3AGSK3BPTK2PTK2BJAK2
SCHEMBL3286465 0.81 PTK2 (0.47) GSK3AGSK3BPTK2PTK2BJAK2
SCHEMBL3284730 0.81 PTK2 (0.50) GSK3AGSK3BPTK2PTK2BJAK2
SCHEMBL3283529 0.81 PTK2 (0.53) GSK3AGSK3BPTK2PTK2BJAK2

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
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-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 GSK3A 1259/4885GSK3B 1036/4885PTK2 3366/4885
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 GSK3A 1044/4885GSK3B 852/4885PTK2 1110/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD GSK3A 1259/4885GSK3B 1036/4885PTK2 3366/4885

“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.