SCHEMBL29452761

SCHEMBL29452761

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 1/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ POLB P06746 2/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.32
▸ MME P08473 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PIN1 Q13526 1/20 0.30
▸ BCL2L1 Q07817 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL23052262 1.00 TACR3 (0.34) TACR3ABCG2POLBSMYD3MME
SCHEMBL28722803 1.00 TACR3 (0.34) TACR3ABCG2POLBSMYD3MME
SCHEMBL23052264 1.00 TACR3 (0.34) TACR3ABCG2POLBSMYD3MME
SCHEMBL23051971 0.94 POLB (0.33) POLBSMYD3MMEJAK2JAK1
SCHEMBL29452864 0.94 POLB (0.33) POLBSMYD3MMEJAK2JAK1
SCHEMBL28722241 0.94 POLB (0.33) POLBSMYD3MMEJAK2JAK1
SCHEMBL23051952 0.94 TACR3 (0.34) TACR3ABCG2POLBMMETAS1R3
SCHEMBL29452820 0.94 TACR3 (0.34) TACR3ABCG2POLBMMETAS1R3
SCHEMBL23051954 0.94 TACR3 (0.34) TACR3ABCG2POLBMMETAS1R3
SCHEMBL23052268 0.93 SLC8A1 (0.36) POLBSMYD3MMEKMT2ALMNA

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
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
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 TACR3 731/4885ABCG2 1231/4885POLB 4320/4885

“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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