SCHEMBL23042216

SCHEMBL23042216

C[C@H](NC(=O)c1cc(-c2cccc(Br)c2)[nH]n1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PRKD1 Q15139 2/20 0.39
▸ SNCA P37840 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CCNA2 P20248 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SHMT1 P34896 2/20 0.36
▸ SHMT2 P34897 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL23042217 1.00 CDK2 (0.40) CDK2MAPTKDM4EPOLBPRKD1
SCHEMBL23041527 0.80 PRKD1 (0.38) MAPTPRKD1
SCHEMBL29707865 0.80 PRKD1 (0.38) MAPTPRKD1
SCHEMBL23041519 0.80 PRKD1 (0.38) MAPTPRKD1
SCHEMBL23041699 0.80 PRKD1 (0.38) MAPTPRKD1
SCHEMBL29707801 0.80 PRKD1 (0.38) MAPTPRKD1
SCHEMBL23041591 0.79 DCUN1D1 (0.43) CDK2MAPTNPC1RAB9ACCNA2
SCHEMBL29452736 0.79 DCUN1D1 (0.43) CDK2MAPTNPC1RAB9ACCNA2
SCHEMBL23041588 0.79 DCUN1D1 (0.43) CDK2MAPTNPC1RAB9ACCNA2
SCHEMBL29452642 0.78 PRKD1 (0.37) MAPTPOLBPRKD1RIPK1

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 4 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
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 CDK2 4345/4885MAPT 4462/4885KDM4E 3756/4885

“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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