SCHEMBL29452227

SCHEMBL29452227

CCC(CC)NC(=O)c1cnc(-c2cccc(-c3cc(C(=O)N[C@@H](C)C4CCCCC4)n[nH]3)c2)o1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 2/20 0.40
▸ MMP13 P45452 7/20 0.38
▸ MME P08473 6/20 0.37
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL23041423 1.00 PRKD1 (0.40) PRKD1MMP13MMEMAPK1
SCHEMBL23041581 1.00 PRKD1 (0.40) PRKD1MMP13MMEMAPK1
SCHEMBL29452373 1.00 PRKD1 (0.40) PRKD1MMP13MMEMAPK1
SCHEMBL23041424 1.00 PRKD1 (0.40) PRKD1MMP13MMEMAPK1
SCHEMBL23041549 1.00 PRKD1 (0.40) PRKD1MMP13MMEMAPK1
SCHEMBL23041494 1.00 PRKD1 (0.40) PRKD1MMP13MMEMAPK1
SCHEMBL23041547 1.00 PRKD1 (0.40) PRKD1MMP13MMEMAPK1
SCHEMBL23041636 0.98 PRKD1 (0.41) PRKD1MMP13MME
SCHEMBL29452315 0.98 PRKD1 (0.41) PRKD1MMP13MME
SCHEMBL23041556 0.96 PRKD1 (0.38) PRKD1MME

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

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

“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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