SCHEMBL1917364

SCHEMBL1917364

COc1cc(C(O)CNc2nc(Nc3ccc(Cl)c(Cl)c3)ncc2C(F)(F)F)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.50
BRD4 O60885 1/20 0.47
ULK1 O75385 2/20 0.45
ULK2 Q8IYT8 1/20 0.45
EGFR P00533 1/20 0.45
BCL6 P41182 3/20 0.43
NCOR2 Q9Y618 1/20 0.43
LRRK2 Q5S007 2/20 0.42
STK17A Q9UEE5 2/20 0.41
STK17B O94768 1/20 0.41
SLC22A3 O75751 1/20 0.41
AURKA O14965 1/20 0.41
JAK2 O60674 1/20 0.41
NTRK1 P04629 1/20 0.41
TYK2 P29597 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2B Q14289 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41

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
SCHEMBL1916493 0.86 AURKA (0.55) PTK2ULK1STK17ASTK17BAURKA
SCHEMBL1917935 0.84 PTK2 (0.53) PTK2BRD4ULK1ULK2EGFR
SCHEMBL3284819 0.84 SYK (0.57) PTK2ULK1EGFRSTK17ASTK17B
SCHEMBL1917012 0.84 PTK2 (0.49) PTK2ULK1STK17ASTK17BAURKA
SCHEMBL3283654 0.82 STK17A (0.51) PTK2BRD4ULK1STK17ASTK17B
SCHEMBL1916772 0.78 CHEK1 (0.54) PTK2ULK1STK17ASTK17BAURKA
SCHEMBL1917479 0.78 STK17A (0.53) PTK2ULK1STK17ASTK17BAURKA
SCHEMBL3288637 0.76 PTK2 (0.52) PTK2ULK1EGFRSTK17AAURKA
SCHEMBL3285299 0.75 ULK1 (0.64) PTK2BRD4ULK1ULK2LRRK2
SCHEMBL3292046 0.75 PTK2 (0.48) PTK2BRD4ULK1ULK2EGFR

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 PTK2 3366/4885BRD4 2169/4885ULK1 1959/4885
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 1110/4885BRD4 2420/4885ULK1 3079/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PTK2 3366/4885BRD4 2169/4885ULK1 1959/4885

“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.