SCHEMBL29707865

SCHEMBL29707865

C[C@H](NC(=O)c1cc(-c2cccc(-c3ncc(C(=O)N[C@@H](C)C4CC4)o3)c2)[nH]n1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 2/20 0.38
▸ MME P08473 8/20 0.36
▸ MMP13 P45452 2/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ ALPP P05187 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ MAPT P10636 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
SCHEMBL23041527 1.00 PRKD1 (0.38) PRKD1MMEMMP13SMYD3ALPP
SCHEMBL23041519 1.00 PRKD1 (0.38) PRKD1MMEMMP13SMYD3ALPP
SCHEMBL29707801 1.00 PRKD1 (0.38) PRKD1MMEMMP13SMYD3ALPP
SCHEMBL23041699 1.00 PRKD1 (0.38) PRKD1MMEMMP13SMYD3ALPP
SCHEMBL29452642 0.94 PRKD1 (0.37) PRKD1MMESMYD3ALPPJAK2
SCHEMBL28724388 0.94 PRKD1 (0.37) PRKD1MMESMYD3ALPPJAK2
SCHEMBL28724377 0.94 PRKD1 (0.37) PRKD1MMESMYD3ALPPJAK2
SCHEMBL23041512 0.94 PRKD1 (0.38) PRKD1MMESMYD3
SCHEMBL23041556 0.94 PRKD1 (0.38) PRKD1MMESMYD3
SCHEMBL23041552 0.94 PRKD1 (0.38) PRKD1MMESMYD3

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 2 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 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

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 PRKD1 1733/4885MME 4464/4885MMP13 2552/4885

“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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