SCHEMBL19660938

SCHEMBL19660938

C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C45CC(C4)C5)c4ccccc34)n2)c(OC)cc1N1CCN(C)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.81
KCNH2 Q12809 2/20 0.71
IGF1R P08069 1/20 0.71
MLNR O43193 1/20 0.57
KDM1A O60341 1/20 0.57
ABCB11 O95342 1/20 0.57
ERBB2 P04626 1/20 0.57
INSR P06213 1/20 0.57
CHRM2 P08172 1/20 0.57
HTR1A P08908 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
DRD2 P14416 1/20 0.57
NQO2 P16083 1/20 0.57
ADRA2C P18825 1/20 0.57
DRD1 P21728 1/20 0.57
ERBB3 P21860 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
ADORA2A P29274 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
SCHEMBL19661265 0.94 EGFR (0.71) EGFRKCNH2IGF1RMLNRKDM1A
SCHEMBL19663786 0.92 EGFR (0.69) EGFRKCNH2IGF1RMLNRKDM1A
SCHEMBL19660936 0.91 EGFR (0.68) EGFRKCNH2IGF1RMLNRKDM1A
SCHEMBL14719136 0.90 EGFR (1.00) EGFRKCNH2IGF1RMLNRKDM1A
SCHEMBL19660937 0.90 EGFR (0.67) EGFRKCNH2IGF1RMLNRKDM1A
SCHEMBL19661264 0.89 EGFR (0.65) EGFRKCNH2IGF1RMLNRKDM1A
SCHEMBL19337030 0.84 EGFR (0.88) EGFRKCNH2IGF1RMLNRKDM1A
SCHEMBL30789252 0.84 EGFR (0.79) EGFRKCNH2IGF1RMLNRKDM1A
SCHEMBL19639650 0.84 EGFR (0.79) EGFRKCNH2IGF1RMLNRKDM1A
SCHEMBL29375975 0.84 EGFR (0.77) EGFRKCNH2IGF1R

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-20210395230-A1 EGFR INHIBITOR COMPOUNDS RECURIUM IP HOLDINGS, LLC (US) 2021-12-23 US disclosed
US-20200181120-A1 EGFR INHIBITOR COMPOUNDS KALYRA PHARMACEUTICALS, INC. 2020-06-11 US disclosed
US-20170342055-A1 EGFR INHIBITOR COMPOUNDS RECURIUM IP HOLDINGS, LLC 2017-11-30 US disclosed
WO-2017205459-A1 EGFR INHIBITOR COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2017-11-30 WO disclosed
US-20170342055-A1 EGFR INHIBITOR COMPOUNDS RECURIUM IP HOLDINGS, LLC 2017-11-30 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-20200181120-A1 EGFR INHIBITOR COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885KCNH2 4758/4885IGF1R 20/4885
US-20170342055-A1 EGFR INHIBITOR COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885KCNH2 4758/4885IGF1R 20/4885
US-20210395230-A1 EGFR INHIBITOR COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885KCNH2 4758/4885IGF1R 20/4885

“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.