SCHEMBL26136784

SCHEMBL26136784

CC(C)c1nn(C)c2ncc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.40
▸ PAK4 O96013 2/20 0.39
▸ GSK3B P49841 1/20 0.35
▸ NLRP3 Q96P20 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ PDE1B Q01064 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ RET P07949 1/20 0.30
▸ IGF1R P08069 1/20 0.30
▸ FGFR1 P11362 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
SCHEMBL6952100 0.77 SPR (0.46) HSD17B10PAK4GSK3BLMNAHTT
SCHEMBL30924204 0.77 SPR (0.46) HSD17B10PAK4GSK3BLMNAHTT
SCHEMBL26813041 0.76 POLB (0.33) HSD17B10PAK4NLRP3LMNAHTT
SCHEMBL12703617 0.76 HSD17B10 (0.42) HSD17B10PAK4GSK3BPDE1BHTT
SCHEMBL31149372 0.76 HSD17B10 (0.42) HSD17B10PAK4GSK3BPDE1BLMNA
SCHEMBL12703712 0.76 HSD17B10 (0.46) HSD17B10PAK4GSK3BPDE1BHTT
SCHEMBL28619610 0.73 HSD17B10 (0.40) HSD17B10PAK4GSK3BPDE1BCHEK1
SCHEMBL6950131 0.73 HSD17B10 (0.40) HSD17B10PAK4GSK3BPDE1BCHEK1
SCHEMBL17680854 0.72 PDE10A (0.39) HSD17B10GSK3BRETLRRK2
SCHEMBL15371470 0.72 HSD17B10 (0.39) HSD17B10GSK3BPDE1BLMNASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504709-A1 CDK9 INHIBITORS Biolexis Therapeutics, Inc. (US) 2025-02-12 — — EP disclosed
CN-119137103-A CDK9 inhibitors 拜奥列司治疗有限公司 2024-12-13 — — CN disclosed
US-20240150322-A1 CDK9 Inhibitors BAERENKRAFT THERAPEUTICS, LLC 2024-05-09 — — US disclosed
WO-2023196518-A1 CDK9 INHIBITORS Biolexis Therapeutics, Inc. (US) 2023-10-12 — — WO disclosed
WO-2023196518-A1 CDK9 INHIBITORS Biolexis Therapeutics, Inc. (US) 2023-10-12 — — WO disclosed
CN-108602799-B Kinase inhibitor 上海复尚慧创医药研究有限公司 2021-08-03 — — CN 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-20240150322-A1 CDK9 Inhibitors CDK9, CDK19, CDK1 HSD17B10 3666/4885PAK4 971/4885GSK3B 172/4885

“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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