SCHEMBL5491533

SCHEMBL5491533

CC(C)(C)c1ccc(NC(=O)CCl)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HDAC1 Q13547 6/20 0.45
▸ HDAC3 O15379 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ AAK1 Q2M2I8 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ANO1 Q5XXA6 1/20 0.40

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
SCHEMBL23972954 0.82 MAPT (0.54) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL26607445 0.81 NPC1 (0.51) ALDH1A1SMN1; SMN2HDAC1HDAC3MAPT
SCHEMBL26607478 0.81 MAPT (0.50) ALDH1A1HTTSMN1; SMN2HDAC1HDAC3
SCHEMBL5497733 0.80 HPGD (0.56) ALDH1A1HDAC1HDAC3MAPTMEN1
SCHEMBL5495163 0.78 RAD52 (0.60) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL5492605 0.77 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2MAPTMEN1
SCHEMBL5498221 0.77 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL1119860 0.76 AAK1 (0.61) ALDH1A1HTTSMN1; SMN2HDAC1HDAC3
SCHEMBL30573724 0.76 AAK1 (0.46) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL16129058 0.75 HDAC3 (0.41) ALDH1A1HTTSMN1; SMN2HDAC1HDAC3

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
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
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 — — 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
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 — — 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ALDH1A1 1563/4885HTT 3487/4885SMN1; SMN2 4067/4885

“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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