SCHEMBL3284100

SCHEMBL3284100

CN(Cc1ccccc1O)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.47
PTK2B Q14289 5/20 0.47
JAK3 P52333 2/20 0.43
JAK2 O60674 1/20 0.43
NTRK1 P04629 1/20 0.43
TYK2 P29597 1/20 0.43
KDR P35968 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
ULK1 O75385 2/20 0.42
SYK P43405 1/20 0.41
AURKA O14965 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
CYP1A2 P05177 1/20 0.38
CNR2 P34972 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL1917266 0.85 PTK2 (0.45) PTK2PTK2BJAK3JAK2NTRK1
SCHEMBL1916729 0.84 PTK2 (0.49) PTK2PTK2BULK1CDK1CDK4
SCHEMBL1916367 0.82 PTK2 (0.43) PTK2PTK2BKDRULK1CDK4
SCHEMBL3284549 0.81 CHEK1 (0.43) PTK2PTK2BJAK3KDRULK1
SCHEMBL1918200 0.81 PTK2 (0.42) PTK2PTK2BJAK3ULK1CDK1
SCHEMBL1917545 0.80 JAK3 (0.49) PTK2PTK2BJAK3ULK1CYP1A2
SCHEMBL3285334 0.79 STK17A (0.42) PTK2PTK2BJAK3JAK2NTRK1
SCHEMBL3289710 0.79 CHEK1 (0.46) PTK2PTK2BJAK3KDRULK1
SCHEMBL1917458 0.79 STK17A (0.40) PTK2PTK2BJAK3KDRULK1
SCHEMBL3284770 0.78 PTK2 (0.51) PTK2PTK2BJAK3JAK2NTRK1

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
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 1613/4885JAK3 1209/4885
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 954/4885JAK3 497/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PTK2 3366/4885PTK2B 1613/4885JAK3 1209/4885

“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.