SCHEMBL19307120

SCHEMBL19307120

CN1CCN(Cc2ccc(NC(=O)Nc3cc(-c4ccc5ccncc5c4)n(C)n3)cc2Br)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.50
▸ KDR P35968 2/20 0.50
▸ EGFR P00533 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ CSF1R P07333 1/20 0.50
▸ ERBB4 Q15303 1/20 0.50
▸ ABL1 P00519 13/20 0.49
▸ ABL2 P42684 6/20 0.49
▸ BCR P11274 2/20 0.45
▸ LYN P07948 1/20 0.45
▸ SRC P12931 4/20 0.44
▸ FGFR4 P22455 3/20 0.41
▸ KIT P10721 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ RET P07949 1/20 0.39

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
SCHEMBL29614720 1.00 MAPK14 (0.50) MAPK14KDREGFRLCKCSF1R
SCHEMBL29614711 0.89 ABL1 (0.63) MAPK14KDRABL1ABL2SRC
SCHEMBL19307185 0.89 ABL1 (0.63) MAPK14KDRABL1ABL2SRC
SCHEMBL29614737 0.88 MAPK14 (0.59) MAPK14KDREGFRLCKCSF1R
SCHEMBL19307214 0.88 MAPK14 (0.59) MAPK14KDREGFRLCKCSF1R
SCHEMBL29614747 0.84 RET (0.58) MAPK14KDREGFRLCKCSF1R
SCHEMBL19307088 0.84 RET (0.58) MAPK14KDREGFRLCKCSF1R
SCHEMBL19307100 0.83 ABL1 (0.56) MAPK14KDRABL1ABL2SRC
SCHEMBL29614892 0.83 ABL1 (0.56) MAPK14KDRABL1ABL2SRC
SCHEMBL19307122 0.83 ABL1 (0.55) MAPK14KDRABL1ABL2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 — — US disclosed
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES CORNELL UNIVERSITY 2022-05-26 — — US disclosed
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2021-08-05 — — US disclosed
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2021-08-05 — — US disclosed
US-10988461-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2021-04-27 — — US disclosed
US-10988461-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2021-04-27 — — US disclosed
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2019-01-17 — — US disclosed
US-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2019-01-17 — — US disclosed
US-10125123-B2 Small molecule IRE1-α inhibitors CORNELL UNIVERSITY (US) 2018-11-13 — — US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — US disclosed
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS CORNELL UNIVERSITY 2017-09-07 — — 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 (6 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-20190016706-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 MAPK14 1309/4885KDR 4774/4885EGFR 3627/4885
US-10125123-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 MAPK14 1389/4885KDR 4666/4885EGFR 3463/4885
US-20170253590-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 MAPK14 1309/4885KDR 4774/4885EGFR 3627/4885
US-20220160705-A1 METHODS FOR CONTROLLING PROSTAGLANDIN-MEDIATED BIOLOGICAL PROCESSES PTGES, PTGS1, PTGES2 MAPK14 4190/4885KDR 4418/4885EGFR 4828/4885
US-10988461-B2 Small molecule IRE1-α inhibitors XBP1, ERN1, ERN2 MAPK14 1389/4885KDR 4666/4885EGFR 3463/4885
US-20210238167-A1 SMALL MOLECULE IRE1-ALPHA INHIBITORS XBP1, ERN1, ERN2 MAPK14 1309/4885KDR 4774/4885EGFR 3627/4885

“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.

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