SCHEMBL23041981

SCHEMBL23041981

CCC(CC)NC(=O)c1cnc(-c2cccc(-c3cc(C(=O)NC(C)C4CC4)n(CCO)n3)c2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.36
▸ PHGDH O43175 2/20 0.36
▸ MMEL1 Q495T6 1/20 0.36
▸ DYRK1A Q13627 6/20 0.34
▸ DYRK2 Q92630 6/20 0.34
▸ DYRK1B Q9Y463 6/20 0.34
▸ DYRK3 O43781 5/20 0.34
▸ KCNK3 O14649 3/20 0.34
▸ PIN1 Q13526 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL23041394 1.00 MME (0.36) MMEPHGDHMMEL1DYRK1ADYRK2
SCHEMBL28722761 1.00 MME (0.36) MMEPHGDHMMEL1DYRK1ADYRK2
SCHEMBL29452413 1.00 MME (0.36) MMEPHGDHMMEL1DYRK1ADYRK2
SCHEMBL23041980 1.00 MME (0.36) MMEPHGDHMMEL1DYRK1ADYRK2
SCHEMBL29452356 1.00 MME (0.36) MMEPHGDHMMEL1DYRK1ADYRK2
SCHEMBL23041393 1.00 MME (0.36) MMEPHGDHMMEL1DYRK1ADYRK2
SCHEMBL23052261 0.95 PHGDH (0.39) MMEPHGDHPIN1KDM4EALDH1A1
SCHEMBL23041596 0.95 PHGDH (0.39) MMEPHGDHPIN1KDM4EALDH1A1
SCHEMBL23052257 0.95 PHGDH (0.39) MMEPHGDHPIN1KDM4EALDH1A1
SCHEMBL28721963 0.95 PHGDH (0.39) MMEPHGDHPIN1KDM4EALDH1A1

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 8 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
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO 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
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 MME 4464/4885PHGDH 3383/4885MMEL1 2293/4885

“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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