SCHEMBL1916877

SCHEMBL1916877

O=C(O)c1ccccc1CNc1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 19/20 0.61
PTK2B Q14289 4/20 0.61
JAK2 O60674 1/20 0.61
NTRK1 P04629 1/20 0.61
TYK2 P29597 1/20 0.61
KDR P35968 1/20 0.61
JAK3 P52333 1/20 0.61
NTRK3 Q16288 1/20 0.61
NTRK2 Q16620 1/20 0.61
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52

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
SCHEMBL1919277 0.84 PTK2 (0.63) PTK2PTK2BJAK2NTRK1TYK2
SCHEMBL1918084 0.83 PTK2 (0.56) PTK2PTK2BJAK2NTRK1TYK2
SCHEMBL1916345 0.82 EGFR (0.48) PTK2PTK2BJAK2NTRK1TYK2
SCHEMBL1916678 0.81 STK17A (0.60) PTK2GSK3AGSK3B
SCHEMBL3286886 0.81 STK17A (0.54) PTK2PTK2BJAK2NTRK1TYK2
SCHEMBL1916176 0.80 PTK2 (0.56) PTK2PTK2BJAK2NTRK1TYK2
SCHEMBL1916357 0.79 STK17A (0.53) PTK2PTK2BJAK2NTRK1TYK2
SCHEMBL3284770 0.79 PTK2 (0.51) PTK2PTK2BJAK2NTRK1TYK2
SCHEMBL1917110 0.79 STK17A (0.58) PTK2PTK2BJAK2NTRK1TYK2
SCHEMBL1917012 0.79 PTK2 (0.49) PTK2PTK2BJAK2NTRK1TYK2

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 3366/4885PTK2B 1613/4885JAK2 562/4885
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 1110/4885PTK2B 954/4885JAK2 280/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PTK2 3366/4885PTK2B 1613/4885JAK2 562/4885

“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.