SCHEMBL21943424

SCHEMBL21943424

Cn1cc2c(Oc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nc(-c3cccnc3)nc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 5/20 0.68
▸ ABL1 P00519 4/20 0.68
▸ BCR P11274 4/20 0.68
▸ MAPK14 Q16539 3/20 0.68
▸ LMNA P02545 3/20 0.68
▸ ESYT2 A0FGR8 2/20 0.68
▸ NBAS A2RRP1 2/20 0.68
▸ CNOT1 A5YKK6 2/20 0.68
▸ TBKBP1 A7MCY6 2/20 0.68
▸ AGPS O00116 2/20 0.68
▸ MYO1F O00160 2/20 0.68
▸ SNAP23 O00161 2/20 0.68
▸ AP3B1 O00203 2/20 0.68
▸ PSMD12 O00232 2/20 0.68
▸ BMPR1B O00238 2/20 0.68
▸ PGRMC1 O00264 2/20 0.68
▸ CLIC1 O00299 2/20 0.68
▸ CDC7 O00311 2/20 0.68
▸ IPO5 O00410 2/20 0.68
▸ PLK4 O00444 2/20 0.68

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
SCHEMBL21944046 0.97 BRAF (0.66) BRAFABL1BCRMAPK14LMNA
SCHEMBL21943762 0.92 BRAF (0.57) BRAFABL1BCRMAPK14LMNA
SCHEMBL21943413 0.90 LCK (0.67) BRAFABL1BCRMAPK14LMNA
SCHEMBL21943725 0.90 ABL1 (0.78) BRAFABL1BCRMAPK14LMNA
SCHEMBL21944043 0.88 BRAF (0.55) BRAFABL1BCRMAPK14LMNA
SCHEMBL21943539 0.88 BRAF (0.71) BRAFABL1BCRMAPK14LMNA
SCHEMBL21942991 0.87 BRAF (0.66) BRAFABL1BCRMAPK14LMNA
SCHEMBL21942934 0.82 BRAF (0.53) BRAFABL1BCRMAPK14LMNA
SCHEMBL21943634 0.82 ABL1 (0.55) BRAFABL1BCRMAPK14LMNA
SCHEMBL21943425 0.81 MAPK14 (0.56) BRAFABL1BCRMAPK14LMNA

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 BRAF 95/4885ABL1 78/4885BCR 414/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 BRAF 95/4885ABL1 78/4885BCR 414/4885

“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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