SCHEMBL12371146

SCHEMBL12371146

C=CC(=O)Nc1cccc(Oc2nc(Nc3ncc(N4CCN(C)CC4)cc3C)nc3ccnn23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.53
JAK3 P52333 8/20 0.53
JAK2 O60674 4/20 0.53
BLK P51451 2/20 0.53
BMX P51813 2/20 0.53
BTK Q06187 7/20 0.53
CD69 Q07108 1/20 0.53
KCNH2 Q12809 2/20 0.51
ABCB11 O95342 1/20 0.51
ESR1 P03372 1/20 0.51
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
PDE4A P27815 1/20 0.51
ADRA1A P35348 1/20 0.51

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
SCHEMBL12397311 0.92 CTSC (0.57) EGFRJAK3JAK2BLKBMX
SCHEMBL12371143 0.89 EGFR (0.52) EGFRJAK3JAK2BLKBMX
SCHEMBL12371147 0.89 BTK (0.58) EGFRJAK3JAK2BLKBMX
SCHEMBL12371148 0.84 EGFR (0.47) EGFRJAK3JAK2BLKBMX
SCHEMBL2274318 0.84 CTSC (0.68) EGFRJAK3JAK2BLKBMX
SCHEMBL12371169 0.83 BTK (0.46) EGFRJAK3JAK2BLKBMX
SCHEMBL12371163 0.83 BTK (0.46) EGFRJAK3JAK2BLKBMX
SCHEMBL12396274 0.82 CTSC (0.56) EGFRJAK3JAK2BLKBMX
SCHEMBL12371162 0.79 BTK (0.47) EGFRJAK3JAK2BLKBMX
SCHEMBL12396275 0.79 CTSC (0.46) EGFRJAK3JAK2BLKBMX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879028-B2 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. (US) 2018-01-30 US disclosed
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. (US) 2014-01-09 US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 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-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 EGFR 1/4885JAK3 254/4885JAK2 53/4885
US-20140011810-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 EGFR 1/4885JAK3 254/4885JAK2 53/4885

“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.