SCHEMBL5497733

SCHEMBL5497733

CCN(CC)CC(=O)Nc1ccc(C(C)(C)C)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.56
▸ TSHR P16473 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ALDH1A1 P00352 8/20 0.51
▸ MAPT P10636 5/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PKM P14618 2/20 0.45
▸ LMNA P02545 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MC4R P32245 1/20 0.43
▸ SCN4A P35499 1/20 0.43
▸ MC3R P41968 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ GAA P10253 4/20 0.43
▸ BLM P54132 1/20 0.43

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
SCHEMBL5502180 0.88 ALDH1A1 (0.50) HPGDTSHRRAB9AALDH1A1MAPT
SCHEMBL21416838 0.84 ALDH1A1 (0.41) HPGDTSHRRAB9AALDH1A1MAPT
SCHEMBL5504353 0.82 ALDH1A1 (0.70) HPGDTSHRRAB9AALDH1A1MAPT
SCHEMBL5491533 0.80 ALDH1A1 (0.49) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL13990753 0.77 ALDH1A1 (0.65) HPGDTSHRRAB9AALDH1A1MAPT
SCHEMBL26607478 0.76 MAPT (0.50) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL26607445 0.76 NPC1 (0.51) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL14568584 0.76 HPGD (0.49) HPGDTSHRRAB9AALDH1A1MAPT
SCHEMBL26945217 0.74 ALDH1A1 (0.56) HPGDTSHRRAB9AALDH1A1MAPT
SCHEMBL5495163 0.74 RAD52 (0.60) HPGDRAB9AALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 — — EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 — — EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 HPGD 909/4885TSHR 2958/4885RAB9A 3546/4885

“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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