SCHEMBL21298664

SCHEMBL21298664

CCc1cc(-c2cc(NC(=O)Cc3ccc(OC4CCN(C)CC4)c(C(F)(F)F)c3)nn2C)cc2cnc(N)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.39
▸ BRAF P15056 3/20 0.39
▸ TYK2 P29597 5/20 0.39
▸ JAK3 P52333 5/20 0.39
▸ JAK2 O60674 4/20 0.39
▸ JAK1 P23458 4/20 0.39
▸ AURKB Q96GD4 4/20 0.39
▸ RORC P51449 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ RAF1 P04049 2/20 0.37
▸ ARAF P10398 2/20 0.37
▸ ADORA2B P29275 3/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ LCK P06239 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ BTK Q06187 1/20 0.34

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
SCHEMBL20576579 0.89 RORC (0.37) KDRBRAFTYK2JAK3JAK2
SCHEMBL21298643 0.89 RORC (0.37) KDRBRAFTYK2JAK3JAK2
SCHEMBL20576577 0.89 RORC (0.37) KDRBRAFTYK2JAK3JAK2
SCHEMBL21298632 0.89 KDR (0.49) KDRBRAFTYK2JAK3JAK2
SCHEMBL20227767 0.85 ABL1 (0.46) BRAFMAPK14ABL1
SCHEMBL20575944 0.85 RORC (0.34) KDRBRAFTYK2JAK3RORC
SCHEMBL20575941 0.85 RORC (0.34) KDRBRAFTYK2JAK3RORC
SCHEMBL21298674 0.85 ADORA2B (0.37) KDRTYK2JAK3JAK2JAK1
SCHEMBL21298631 0.84 ADORA2B (0.39) ADORA2BADORA1CSF1R
SCHEMBL21298635 0.80 RIPK1 (0.50) ADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392367-B2 IRE1 small molecule inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-08-27 — — 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 (1 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-10392367-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 KDR 3965/4885BRAF 1396/4885TYK2 2783/4885

“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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