SCHEMBL21298643

SCHEMBL21298643

CCc1cc(-c2cc(NC(=O)Cc3ccc(OC4CCN(C)CC4)c(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(N)CC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.37
▸ KDR P35968 4/20 0.36
▸ BRAF P15056 3/20 0.36
▸ LCK P06239 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ SRC P12931 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ RAF1 P04049 2/20 0.34
▸ ARAF P10398 2/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ FLT3 P36888 9/20 0.34
▸ CHEK1 O14757 7/20 0.34
▸ KIT P10721 7/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33

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
SCHEMBL20576577 1.00 RORC (0.37) RORCKDRBRAFLCKMAPK14
SCHEMBL20576579 1.00 RORC (0.37) RORCKDRBRAFLCKMAPK14
SCHEMBL20576237 0.90 KDR (0.46) KDRBRAFMAPK14RAF1ARAF
SCHEMBL20576240 0.90 KDR (0.46) KDRBRAFMAPK14RAF1ARAF
SCHEMBL21298664 0.89 KDR (0.39) RORCKDRBRAFLCKMAPK14
SCHEMBL20576731 0.88 ADORA2B (0.34) FLT3CHEK1KITADORA2BADORA1
SCHEMBL21330469 0.88 ABL1 (0.45) KDRBRAFMAPK14FLT3KIT
SCHEMBL21350949 0.88 ABL1 (0.45) KDRBRAFMAPK14FLT3KIT
SCHEMBL21330466 0.88 ABL1 (0.45) KDRBRAFMAPK14FLT3KIT
SCHEMBL20576249 0.88 FLT3 (0.35) FLT3CHEK1KITADORA2BADORA1

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 RORC 3226/4885KDR 3965/4885BRAF 1396/4885

“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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