SCHEMBL21943637

SCHEMBL21943637

Cc1cn(-c2cc(C(=O)Nc3cc(Oc4nc(-c5cccnc5)nc5nn(C)cc45)ccc3C)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.54
▸ BCR P11274 7/20 0.54
▸ PDGFRB P09619 4/20 0.54
▸ KIT P10721 4/20 0.54
▸ HCK P08631 3/20 0.54
▸ EPHB2 P29323 3/20 0.54
▸ LCK P06239 3/20 0.54
▸ LYN P07948 3/20 0.54
▸ FLT3 P36888 3/20 0.54
▸ DDR2 Q16832 3/20 0.54
▸ LDLR P01130 3/20 0.54
▸ PCSK9 Q8NBP7 3/20 0.54
▸ EPHB6 O15197 2/20 0.54
▸ STK10 O94804 2/20 0.54
▸ FYN P06241 2/20 0.54
▸ YES1 P07947 2/20 0.54
▸ RET P07949 2/20 0.54
▸ SRC P12931 2/20 0.54
▸ BRAF P15056 2/20 0.54
▸ PHKG2 P15735 2/20 0.54

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
SCHEMBL21944067 0.88 ABL1 (0.58) ABL1BCRPDGFRBKITHCK
SCHEMBL21942991 0.87 BRAF (0.66) ABL1BCRPDGFRBKITHCK
SCHEMBL21943004 0.79 BRAF (0.55) ABL1BCRPDGFRBKITHCK
SCHEMBL21943413 0.77 LCK (0.67) ABL1BCRPDGFRBKITHCK
SCHEMBL21944046 0.76 BRAF (0.66) ABL1BCRPDGFRBKITHCK
SCHEMBL21943539 0.75 BRAF (0.71) ABL1BCRPDGFRBKITHCK
SCHEMBL21943424 0.75 BRAF (0.68) ABL1BCRPDGFRBKITHCK
SCHEMBL5222415 0.74 ABL1 (0.84) ABL1BCRPDGFRBKITHCK
SCHEMBL21943759 0.74 LDLR (0.62) ABL1BCRPDGFRBKITHCK
SCHEMBL21943725 0.74 ABL1 (0.78) ABL1BCRPDGFRBKITHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof XIAMEN UNIVERSITY (CN) 2022-05-03 — — US disclosed
US-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-04-23 — — 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 (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-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF CYP4A11, CYP2D6, CYP3A43 ABL1 78/4885BCR 414/4885PDGFRB 1488/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 ABL1 78/4885BCR 414/4885PDGFRB 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.

Send feedback