SCHEMBL21942979

SCHEMBL21942979

CN1CCN(Cc2cc(NC(=O)c3cccc(Oc4nc(-c5cccnc5)nc5c4cnn5C)c3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 17/20 0.53
DDR1 Q08345 16/20 0.53
ABL1 P00519 11/20 0.53
BCR P11274 5/20 0.53
RET P07949 3/20 0.51
NTRK1 P04629 3/20 0.51
ESYT2 A0FGR8 1/20 0.51
PLEKHG3 A1L390 1/20 0.51
NBAS A2RRP1 1/20 0.51
CNOT1 A5YKK6 1/20 0.51
TBKBP1 A7MCY6 1/20 0.51
MYO1G B0I1T2 1/20 0.51
AGPS O00116 1/20 0.51
MYO1F O00160 1/20 0.51
SNAP23 O00161 1/20 0.51
AP3B1 O00203 1/20 0.51
PSMD12 O00232 1/20 0.51
BMPR1B O00238 1/20 0.51
PGRMC1 O00264 1/20 0.51
CLIC1 O00299 1/20 0.51

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
SCHEMBL21942980 0.94 DDR2 (0.52) DDR2DDR1ABL1BCRNTRK1
SCHEMBL21943483 0.90 RET (0.62) DDR2DDR1ABL1BCRRET
SCHEMBL21942970 0.87 RET (0.66) ABL1BCRRETEGFRLYN
SCHEMBL21943627 0.86 DDR2 (0.54) DDR2DDR1ABL1BCRRET
SCHEMBL21943727 0.85 DDR2 (0.53) DDR2DDR1ABL1BCRRET
SCHEMBL21943716 0.85 RET (0.64) DDR1ABL1BCRRETEGFR
SCHEMBL21943353 0.83 DDR2 (0.54) DDR2DDR1ABL1BCRRET
SCHEMBL21943487 0.81 DDR2 (0.54) DDR2DDR1ABL1BCRRET
SCHEMBL21943493 0.81 RET (0.57) ABL1RETEGFRFGFR1SRC
SCHEMBL21943600 0.79 ABL1 (0.67) DDR2DDR1ABL1BCRRET

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 DDR2 4208/4885DDR1 3948/4885ABL1 78/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 DDR2 4208/4885DDR1 3948/4885ABL1 78/4885

“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.