SCHEMBL23041685

SCHEMBL23041685

CCC(CC)NC(=O)c1cnc(-c2cccc(-c3cc(C(=O)NC(C)C4CC4)n(CC(C)(C)O)n3)c2)o1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.35
▸ MMEL1 Q495T6 1/20 0.35
▸ KCNK3 O14649 3/20 0.34
▸ USP30 Q70CQ3 1/20 0.32
▸ PHGDH O43175 2/20 0.32
▸ ALPL P05186 1/20 0.32
▸ DYRK3 O43781 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ DYRK2 Q92630 2/20 0.32
▸ DYRK1B Q9Y463 2/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ PIN1 Q13526 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29452394 1.00 MME (0.35) MMEMMEL1KCNK3USP30PHGDH
SCHEMBL23041683 1.00 MME (0.35) MMEMMEL1KCNK3USP30PHGDH
SCHEMBL23041442 0.95 PHGDH (0.35) MMEMMEL1KCNK3USP30PHGDH
SCHEMBL23041445 0.95 PHGDH (0.35) MMEMMEL1KCNK3USP30PHGDH
SCHEMBL23041980 0.89 MME (0.36) MMEMMEL1KCNK3PHGDHDYRK3
SCHEMBL23041405 0.89 MME (0.38) MMEMMEL1KCNK3USP30PHGDH
SCHEMBL23041981 0.89 MME (0.36) MMEMMEL1KCNK3PHGDHDYRK3
SCHEMBL23041404 0.89 MME (0.38) MMEMMEL1KCNK3USP30PHGDH
SCHEMBL23041393 0.89 MME (0.36) MMEMMEL1KCNK3PHGDHDYRK3
SCHEMBL23041394 0.89 MME (0.36) MMEMMEL1KCNK3PHGDHDYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-09-29 — — US claimed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP claimed
CN-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN claimed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO claimed
US-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-09-29 — — US disclosed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP disclosed
CN-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN disclosed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — 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-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, TMEM161A, TMEM164 MME 4464/4885MMEL1 2293/4885KCNK3 123/4885

“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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