SCHEMBL1917099

SCHEMBL1917099

OCCN(Cc1ccccc1)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.41
ULK1 O75385 3/20 0.40
SLC2A1 P11166 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSC P53634 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CNR2 P34972 3/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
PTK2B Q14289 3/20 0.39
SYK P43405 1/20 0.39
CYP1A2 P05177 1/20 0.38
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37
TYK2 P29597 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL1916225 0.94 PTK2 (0.40) PTK2ULK1SLC2A1MEN1POLB
SCHEMBL1916470 0.90 ULK1 (0.42) PTK2ULK1CNR2CDK1CDK4
SCHEMBL1917893 0.88 ALDH1A1 (0.39) PTK2ULK1CTSCGSK3AGSK3B
SCHEMBL1917082 0.83 PTK2 (0.44) PTK2ULK1MEN1KMT2ACTSC
SCHEMBL3287062 0.83 PTK2 (0.42) PTK2ULK1KMT2ACTSCGSK3A
SCHEMBL1917085 0.83 PTK2 (0.42) PTK2ULK1GSK3AGSK3BCNR2
SCHEMBL1916006 0.81 PTK2 (0.39) PTK2ULK1MEN1KMT2ACTSC
SCHEMBL1916644 0.80 CTSC (0.40) PTK2ULK1CTSCCNR2CDK1
SCHEMBL3285550 0.79 PTK2 (0.42) PTK2ULK1CNR2CYP1A2KDR
SCHEMBL1916668 0.79 PTK2 (0.43) PTK2ULK1GSK3AGSK3BCNR2

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 10 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
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 PTK2 3366/4885ULK1 1959/4885SLC2A1 880/4885
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 PTK2 1110/4885ULK1 3079/4885SLC2A1 959/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PTK2 3366/4885ULK1 1959/4885SLC2A1 880/4885

“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.