SCHEMBL29763384

SCHEMBL29763384

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 5/20 0.48
▸ IDH2 P48735 4/20 0.48
▸ KCNH3 Q9ULD8 5/20 0.47
▸ SYK P43405 2/20 0.46
▸ CCNT1 O60563 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ PTGS2 P35354 2/20 0.42
▸ RORC P51449 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL15102556 1.00 IDH1 (0.48) IDH1IDH2KCNH3SYKCCNT1
SCHEMBL16391828 0.87 PTGS2 (0.43) IDH1IDH2SYKCCNT1CCNE1
SCHEMBL15102544 0.83 IDH1 (0.52) IDH1IDH2KCNH3CCNT1CCNE1
SCHEMBL15102388 0.82 KCNH3 (0.55) IDH1IDH2KCNH3SYKCCNT1
SCHEMBL29560264 0.81 IDH1 (0.71) IDH1IDH2SYK
SCHEMBL15102434 0.81 IDH1 (0.71) IDH1IDH2SYK
SCHEMBL29560634 0.81 IDH1 (0.61) IDH1IDH2
SCHEMBL15102252 0.81 IDH1 (0.61) IDH1IDH2
SCHEMBL15102540 0.80 IDH1 (0.53) IDH1IDH2KCNH3SYKCCNT1
SCHEMBL29561157 0.80 IDH1 (0.53) IDH1IDH2KCNH3SYKCCNT1

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 7 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-11505538-B1 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2022-11-22 — — US 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 (3 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 IDH1 172/4885IDH2 110/4885KCNH3 4722/4885
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT IDH1 172/4885IDH2 110/4885KCNH3 4722/4885
US-11505538-B1 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT IDH1 172/4885IDH2 110/4885KCNH3 4722/4885

“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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