SCHEMBL30309830

SCHEMBL30309830

CCOC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)c(-c3ccc(N=C(c4ccccc4)c4ccccc4)cc3F)c(NCc3cc(F)cnc3O[C@@H](C)CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL25839664 0.92 ADORA3 (0.34) ADORA3ADORA2ACCNA2CDK2KDM4E
SCHEMBL25427310 0.86 ADORA3 (0.31) ADORA3ADORA2A
SCHEMBL25171014 0.83 MKNK2 (0.33) ADORA3ADORA2ACCNA2CDK2KDM4E
SCHEMBL30410817 0.83 MKNK2 (0.33) ADORA3ADORA2ACCNA2CDK2KDM4E
SCHEMBL25171015 0.83 MKNK2 (0.33) ADORA3ADORA2ACCNA2CDK2KDM4E
SCHEMBL25171016 0.83 MKNK2 (0.33) ADORA3ADORA2ACCNA2CDK2KDM4E
SCHEMBL25839656 0.83 ALDH1A1 (0.33) CCNA2CDK2KDM4EHPGDTSHR
SCHEMBL30309823 0.82 MDM2 (0.33) CCNA2CDK2
SCHEMBL25839577 0.82 ALDH1A1 (0.35) CCNA2CDK2KDM4EHPGDTSHR
SCHEMBL25171195 0.81 JAK3 (0.33) KDM4EHPGDHSD17B10

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
EP-4163283-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-04-12 — — EP 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 4277/4885CCNA2 1362/4885

“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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