SCHEMBL20214560

SCHEMBL20214560

CN1CCN(Cc2cc(NC(=O)Nc3cc(-c4ccc5nc(NC6CCNCC6)ncc5c4)n(C)n3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.46
▸ BRAF P15056 2/20 0.46
▸ DDR2 Q16832 13/20 0.43
▸ NTRK1 P04629 3/20 0.42
▸ NTRK3 Q16288 3/20 0.42
▸ NTRK2 Q16620 3/20 0.42
▸ DDR1 Q08345 11/20 0.41
▸ ABL1 P00519 8/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ LCK P06239 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ BCR P11274 4/20 0.40
▸ KIT P10721 2/20 0.40

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
SCHEMBL20214702 0.87 FGFR4 (0.51) KDRBRAFABL1MAPK14BCR
SCHEMBL19316721 0.86 DDR2 (0.48) KDRBRAFDDR2NTRK1NTRK3
SCHEMBL20214681 0.86 MAPK14 (0.44) KDRBRAFABL1LCKMAPK14
SCHEMBL20214668 0.84 ABL1 (0.50) KDRBRAFABL1MAPK14
SCHEMBL20214669 0.84 ABL1 (0.50) KDRBRAFABL1MAPK14
SCHEMBL20214756 0.84 ABL1 (0.50) KDRBRAFABL1MAPK14
SCHEMBL20214708 0.81 ABL1 (0.45) KDRBRAFABL1LCKMAPK14
SCHEMBL20214710 0.81 EGFR (0.55) KDRBRAFABL1MAPK14BCR
SCHEMBL19316717 0.81 KDR (0.49) KDRBRAFDDR2NTRK1NTRK3
SCHEMBL21330457 0.81 EGFR (0.52) KDRBRAFABL1MAPK14BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934275-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2021-03-02 — — US disclosed
US-10934275-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2021-03-02 — — US disclosed
EP-3548476-A1 IRE1 SMALL MOLECULE INHIBITORS Quentis Therapeutics, Inc. (US) 2019-10-09 — — EP disclosed
US-20190276434-A1 IRE1 Small Molecule Inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-09-12 — — US disclosed
US-20190276434-A1 IRE1 Small Molecule Inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-09-12 — — US disclosed
WO-2018102751-A1 IRE1 SMALL MOLECULE INHIBITORS QUENTIS THERAPEUTICS, INC. (US) 2018-06-07 — — WO disclosed
WO-2018102751-A1 IRE1 SMALL MOLECULE INHIBITORS QUENTIS THERAPEUTICS, INC. (US) 2018-06-07 — — 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-10934275-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 KDR 3965/4885BRAF 1396/4885DDR2 1488/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 KDR 3965/4885BRAF 1396/4885DDR2 1488/4885

“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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