SCHEMBL21944031

SCHEMBL21944031

CN1CCN(Cc2cc(NC(=O)c3cccc(Oc4nc(-c5ccncc5)nc5cc[nH]c45)c3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 16/20 0.49
▸ DDR1 Q08345 16/20 0.48
▸ ABL1 P00519 9/20 0.48
▸ KIT P10721 4/20 0.48
▸ NTRK1 P04629 3/20 0.48
▸ NTRK3 Q16288 3/20 0.48
▸ NTRK2 Q16620 3/20 0.48
▸ BCR P11274 7/20 0.48

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
SCHEMBL21943727 0.93 DDR2 (0.53) DDR2DDR1ABL1KITNTRK1
SCHEMBL21942989 0.90 DDR2 (0.50) DDR2DDR1ABL1KITNTRK1
SCHEMBL21943723 0.90 DDR2 (0.56) DDR2DDR1ABL1KITNTRK1
SCHEMBL21943083 0.88 DDR2 (0.49) DDR2DDR1ABL1KITNTRK1
SCHEMBL21944042 0.88 KDR (0.54) DDR2DDR1ABL1KITNTRK1
SCHEMBL21943388 0.87 CSF1R (0.58) ABL1KIT
SCHEMBL21943345 0.84 KIT (0.58) DDR1ABL1KIT
SCHEMBL21942980 0.84 DDR2 (0.52) DDR2DDR1ABL1KITNTRK1
SCHEMBL21943733 0.84 DDR2 (0.49) DDR2DDR1ABL1KITNTRK1
SCHEMBL21975687 0.83 DDR2 (0.47) DDR2DDR1ABL1KITNTRK1

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 3 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
EP-3647313-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xiamen University (CN) 2020-05-06 — — EP 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.

Send feedback