SCHEMBL29763303

SCHEMBL29763303

CC(C)Nc1nc(Nc2cccc(S(C)(=O)=O)c2)nc(-c2cc(Cl)cc(Cl)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ KCNH3 Q9ULD8 5/20 0.47
▸ IDH1 O75874 3/20 0.46
▸ IDH2 P48735 1/20 0.46
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ACVR1 Q04771 3/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ MET P08581 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ MAPK8 P45983 1/20 0.42

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
SCHEMBL15102551 1.00 POLB (0.47) POLBKCNH3IDH1IDH2CA1
SCHEMBL29561084 0.90 IDH1 (0.53) POLBKCNH3IDH1IDH2CA1
SCHEMBL15102285 0.90 IDH1 (0.53) POLBKCNH3IDH1IDH2CA1
SCHEMBL16391639 0.86 PTGS2 (0.45) ACVR1CDK9AURKAMAP4K4ABL1
SCHEMBL16388184 0.85 ROCK1 (0.47) ACVR1CDK9AURKAMAP4K4ABL1
SCHEMBL15102388 0.83 KCNH3 (0.55) POLBKCNH3IDH1IDH2CA1
SCHEMBL29560403 0.82 IDH1 (0.53) POLBKCNH3IDH1IDH2CA1
SCHEMBL15102435 0.82 IDH1 (0.53) POLBKCNH3IDH1IDH2CA1
SCHEMBL15102310 0.81 IDH1 (0.64) IDH1IDH2
SCHEMBL29763230 0.81 CDK9 (0.47) POLBKCNH3IDH1IDH2CA1

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
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2023-08-10 — — US disclosed
CN-115536635-A Therapeutically active compounds and methods of use thereof 法国施维雅药厂 2022-12-30 — — CN disclosed
CN-115521264-A Therapeutically active compounds and methods of use thereof 法国施维雅药厂 2022-12-27 — — CN disclosed
US-20220348554-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2022-11-03 — — US disclosed
CN-114933585-A Therapeutically active compounds and methods of use thereof 法国施维雅药厂 2022-08-23 — — CN disclosed
CN-108912066-B Therapeutically active compounds and methods of use thereof 安吉奥斯医药品有限公司 2022-06-24 — — 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 (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-20220348554-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT POLB 566/4885KCNH3 4722/4885IDH1 172/4885
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT POLB 566/4885KCNH3 4722/4885IDH1 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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