SCHEMBL25839636

SCHEMBL25839636

CCOC(=O)c1cnn2c(N)c(-c3ccccc3F)c(NCc3cc(F)cnc3O[C@@H](C)CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ KDR P35968 1/20 0.35
▸ KDM4E B2RXH2 9/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ HPGD P15428 8/20 0.34
▸ ALDH1A1 P00352 8/20 0.34
▸ HSD17B10 Q99714 7/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CSNK1D P48730 2/20 0.33
▸ ADORA1 P30542 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
SCHEMBL25839421 0.86 KDM4E (0.39) ADORA3ADORA2AKDM4ENPC1RAB9A
SCHEMBL25839664 0.85 ADORA3 (0.34) ADORA3ADORA2AKDM4ENPC1RAB9A
SCHEMBL25839621 0.84 KDM4E (0.38) ADORA3ADORA2AKDM4ENPC1RAB9A
SCHEMBL25117920 0.82 JAK2 (0.36) ADORA3ADORA2AKDM4ENPC1RAB9A
SCHEMBL25117922 0.82 JAK2 (0.36) ADORA3ADORA2AKDM4ENPC1RAB9A
SCHEMBL30309830 0.81 ADORA3 (0.32) ADORA3ADORA2AKDM4EHPGDHSD17B10
SCHEMBL25118011 0.80 MKNK2 (0.35) ADORA3ADORA2AKDM4EHPGDALDH1A1
SCHEMBL25117792 0.80 JAK2 (0.35) ADORA3ADORA2AKDM4ENPC1RAB9A
SCHEMBL25839665 0.80 ACVR1B (0.32) ADORA3ADORA2AMKNK2
SCHEMBL25117793 0.79 JAK2 (0.35) ADORA3ADORA2ASMN1; SMN2TP53CSNK1D

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-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 — — US disclosed
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 — — 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-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF BTK, SRC, YES1 ADORA3 1899/4885ADORA2A 4277/4885KDR 638/4885

“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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