SCHEMBL2595847

SCHEMBL2595847

C=CC(=O)Nc1ccc(C(F)(F)F)c(Nc2ncc(Cl)c(Nc3ccccc3C(=O)NC)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 4/20 0.64
ULK1 O75385 2/20 0.61
ALK Q9UM73 2/20 0.60
EGFR P00533 2/20 0.60
MET P08581 1/20 0.57
PTK2 Q05397 10/20 0.55
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
INSR P06213 1/20 0.53
IGF1R P08069 1/20 0.53
PTK2B Q14289 1/20 0.53
PKMYT1 Q99640 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL14982967 0.88 MAPK3 (0.69) MAPK3ULK1ALKEGFRMET
SCHEMBL2593069 0.87 EGFR (0.78) MAPK3ULK1ALKEGFRMET
SCHEMBL14973064 0.86 ULK1 (0.62) MAPK3ULK1ALKEGFRMET
SCHEMBL2594581 0.85 ALK (0.76) MAPK3ULK1ALKEGFRMET
SCHEMBL2594649 0.85 ULK1 (0.67) MAPK3ULK1ALKEGFRMET
SCHEMBL2592584 0.84 MAPK3 (0.71) MAPK3ULK1ALKEGFRMET
SCHEMBL14982983 0.82 ULK1 (0.66) MAPK3ULK1ALKEGFRMET
SCHEMBL2588523 0.82 ULK1 (0.63) MAPK3ULK1ALKEGFRMET
SCHEMBL2595773 0.81 ULK1 (0.61) MAPK3ULK1ALKEGFRMET
SCHEMBL12179673 0.81 ULK1 (0.61) MAPK3ULK1ALKEGFRMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 WO disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 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 (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-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 MAPK3 149/4885ULK1 591/4885ALK 911/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 MAPK3 149/4885ULK1 591/4885ALK 911/4885

“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.