SCHEMBL29776336

SCHEMBL29776336

FC(F)(F)c1cc2cnc(NC3CCOCC3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.42
▸ MAPK3 P27361 2/20 0.42
▸ CCNE1 P24864 5/20 0.40
▸ CDK2 P24941 5/20 0.40
▸ PIM1 P11309 2/20 0.39
▸ CCNT1 O60563 2/20 0.38
▸ FYN P06241 1/20 0.38
▸ PARP14 Q460N5 1/20 0.38
▸ MAPK14 Q16539 4/20 0.37

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
SCHEMBL27197214 1.00 MAPK1 (0.42) MAPK1MAPK3CCNE1CDK2PIM1
SCHEMBL27196808 0.81 ABL1 (0.48) MAPK1MAPK14
SCHEMBL27196848 0.78 CCNE1 (0.40) MAPK1MAPK3CCNE1CDK2CCNT1
SCHEMBL27196906 0.78 CCNE1 (0.40) MAPK1MAPK3CCNE1CDK2CCNT1
SCHEMBL27197101 0.78 CCNE1 (0.43) MAPK1MAPK3CCNE1CDK2CCNT1
SCHEMBL24605551 0.77 CCNE1 (0.39) MAPK1MAPK3CCNE1CDK2CCNT1
SCHEMBL29776558 0.77 CCNE1 (0.39) MAPK1MAPK3CCNE1CDK2CCNT1
SCHEMBL29776505 0.77 CCNE1 (0.43) MAPK1MAPK3CCNE1CDK2CCNT1
SCHEMBL24605559 0.77 CCNE1 (0.43) MAPK1MAPK3CCNE1CDK2CCNT1
SCHEMBL30595587 0.76 FYN (0.53) MAPK1MAPK3CCNE1CDK2CCNT1

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-4267131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2023-11-01 — — EP claimed
CN-116685318-A Heterocyclic compounds and their use for parasitic diseases 细胞基因公司 2023-09-01 — — CN claimed
WO-2022146920-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2022-07-07 — — WO claimed
US-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CELGENE CORPORATION (US) 2024-04-18 — — US disclosed
EP-4267131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2023-11-01 — — EP disclosed
WO-2022146920-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2022-07-07 — — WO 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-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CYP11B2, CYP11B1, CYP8B1 MAPK1 1969/4885MAPK3 2427/4885CCNE1 234/4885

“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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