SCHEMBL29452516

SCHEMBL29452516

C[C@H](NC(=O)c1cnc(-c2cccc(-c3nnc(C(=O)NC(C4CC4)C4CC4)[nH]3)c2)o1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ MMEL1 Q495T6 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ ACACB O00763 4/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ ACACA Q13085 3/20 0.31

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
SCHEMBL23041489 1.00 MME (0.36) MMESMYD3JAK2JAK1JAK3
SCHEMBL23041513 1.00 MME (0.36) MMESMYD3JAK2JAK1JAK3
SCHEMBL23041553 1.00 MME (0.36) MMESMYD3JAK2JAK1JAK3
SCHEMBL23041510 1.00 MME (0.36) MMESMYD3JAK2JAK1JAK3
SCHEMBL23041485 1.00 MME (0.36) MMESMYD3JAK2JAK1JAK3
SCHEMBL23041425 0.96 MME (0.36) MMESMYD3JAK2JAK1JAK3
SCHEMBL23041562 0.96 MME (0.36) MMESMYD3JAK2JAK1JAK3
SCHEMBL23051959 0.96 MME (0.36) MMESMYD3JAK2JAK1JAK3
SCHEMBL23041420 0.96 MME (0.36) MMESMYD3JAK2JAK1JAK3
SCHEMBL29707757 0.96 MME (0.36) MMESMYD3JAK2JAK1JAK3

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-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
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

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 4464/4885SMYD3 3352/4885JAK2 2825/4885

“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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