SCHEMBL23041379

SCHEMBL23041379

C[C@@H](NC(=O)c1n[nH]c(-c2cccc(-c3ncc(C(=O)N[C@H](C)C4CC4)o3)c2)n1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MDM2 Q00987 4/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ NTRK1 P04629 1/20 0.33

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
SCHEMBL23041380 1.00 MME (0.36) MMEJAK2JAK1JAK3IDO1
SCHEMBL28938263 0.95 JAK2 (0.36) JAK2JAK1JAK3IDO1MDM2
SCHEMBL28938265 0.95 JAK2 (0.36) JAK2JAK1JAK3IDO1MDM2
SCHEMBL29452801 0.95 JAK2 (0.36) JAK2JAK1JAK3IDO1MDM2
SCHEMBL23041456 0.83 ADORA3 (0.47) MMEJAK2JAK1JAK3ADORA3
SCHEMBL23041468 0.83 MME (0.37) MMEJAK2JAK1JAK3IDO1
SCHEMBL29452725 0.83 MME (0.37) MMEJAK2JAK1JAK3IDO1
SCHEMBL23041470 0.83 MME (0.37) MMEJAK2JAK1JAK3IDO1
SCHEMBL23041425 0.82 MME (0.36) MMEJAK2JAK1JAK3IDO1
SCHEMBL23051959 0.82 MME (0.36) MMEJAK2JAK1JAK3IDO1

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 9 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
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 4464/4885JAK2 2825/4885JAK1 4002/4885

“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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