SCHEMBL1828615

SCHEMBL1828615

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nccn1-c1ccnc(NCCN2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.59
MAPK14 Q16539 3/20 0.59
BRAF P15056 8/20 0.57
KDR P35968 8/20 0.57
SRC P12931 7/20 0.57
INSR P06213 6/20 0.57
LYN P07948 6/20 0.57
HCK P08631 5/20 0.57
RAF1 P04049 5/20 0.55
TYK2 P29597 1/20 0.49
SYK P43405 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
JAK3 P52333 1/20 0.49
MAPK10 P53779 1/20 0.49
BTK Q06187 1/20 0.49
HTR2A P28223 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3236541 0.90 LCK (0.58) LCKMAPK14BRAFKDRSRC
SCHEMBL3234843 0.90 LCK (0.66) LCKMAPK14BRAFKDRSRC
SCHEMBL13467361 0.88 KDR (0.62) LCKBRAFKDRSRCINSR
SCHEMBL3241632 0.88 LCK (0.62) LCKMAPK14BRAFKDRSRC
SCHEMBL1827776 0.86 LCK (0.67) LCKMAPK14BRAFKDRSRC
SCHEMBL1833165 0.85 LCK (0.66) LCKMAPK14BRAFKDRSRC
SCHEMBL1817478 0.83 LCK (0.75) LCKBRAFKDRSRCINSR
SCHEMBL3005151 0.82 LCK (0.67) LCKMAPK14BRAFKDRSRC
SCHEMBL3829904 0.82 KDR (0.65) LCKMAPK14BRAFKDRSRC
SCHEMBL1826699 0.81 LCK (0.54) LCKMAPK14BRAFKDRSRC

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4688876-B2 2011-05-25 JP claimed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US claimed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 US claimed
EP-1758892-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-07 EP claimed
WO-2005123719-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-12-29 WO claimed
US-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 US disclosed
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 EP disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 US disclosed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 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 (2 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-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS SMN1; SMN2, SOD1, NEFM LCK 4772/4885MAPK14 3061/4885BRAF 3631/4885
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, PTK2B, SRC LCK 49/4885MAPK14 134/4885BRAF 17/4885

“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.