SCHEMBL2595865

SCHEMBL2595865

C=CC(=O)Nc1cccc(CNc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.64
MET P08581 11/20 0.64
JAK3 P52333 4/20 0.58
JAK2 O60674 1/20 0.58
JAK1 P23458 1/20 0.58
TTK P33981 1/20 0.58
INSR P06213 2/20 0.57
EGFR P00533 1/20 0.57
ERBB2 P04626 1/20 0.57
ROS1 P08922 1/20 0.57
FER P16591 1/20 0.57
LTK P29376 1/20 0.57
BLK P51451 1/20 0.57
PTK2 Q05397 1/20 0.57
BTK Q06187 1/20 0.57
TNK2 Q07912 1/20 0.57
ERBB4 Q15303 1/20 0.57
SLK Q9H2G2 1/20 0.57
EML4 Q9HC35 1/20 0.57

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
SCHEMBL2595197 0.89 ALK (0.78) ALKMETEGFR
SCHEMBL12179324 0.85 ALK (0.67) ALKMETINSREGFRERBB2
SCHEMBL2594840 0.83 ALK (0.60) ALKMETINSREGFRROS1
SCHEMBL14982973 0.82 ALK (0.71) ALKMETINSREGFRERBB2
SCHEMBL14982975 0.82 ALK (0.84) ALKINSREGFRERBB2ROS1
SCHEMBL2588978 0.80 ZAP70 (0.70) ALKMETINSREGFRROS1
SCHEMBL29174720 0.79 PTK2 (0.60) ALKMETJAK3PTK2
SCHEMBL2595611 0.78 EGFR (0.65) ALKMETJAK3JAK2INSR
SCHEMBL11916626 0.77 ALK (0.77) ALKMETPTK2
SCHEMBL12311987 0.76 ALK (0.73) ALKMETINSREGFRROS1

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 5 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

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 ALK 911/4885MET 8/4885JAK3 254/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 ALK 911/4885MET 8/4885JAK3 254/4885

“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.