SCHEMBL3996959

SCHEMBL3996959

NCC(=O)N1CCc2cc[c]cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NOTUM Q6P988 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL17005756 0.85 MEN1 (0.44) DPP8DPP7HDAC3HDAC1HDAC10
SCHEMBL8013063 0.80 NOTUM (0.63) ALDH1A1MEN1KMT2AMAPTHPGD
Hydrochloric Acid SCHEMBL27170981 0.78 DPP8 (0.62) DPP8DPP7HDAC3HDAC1HDAC10
SCHEMBL23360751 0.77 NOTUM (0.43) ALDH1A1MEN1KMT2AMAPTNOTUM
SCHEMBL952264 0.77 ESR1 (0.59) HDAC3HDAC1HDAC10HDAC11MEN1
SCHEMBL697852 0.76 KMT2A (0.41) DPP8DPP7HDAC3HDAC1HDAC10
SCHEMBL2075762 0.75 NOTUM (0.44) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL4802212 0.75 TSHR (0.46) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3486703 0.74 NOTUM (0.63) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3995514 0.73 KMT2A (0.41) HDAC3HDAC1ALDH1A1MEN1KMT2A

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-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 — — US disclosed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 — — EP disclosed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 — — US disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 — — EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 — — 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-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors TNK2, ROCK1, ARHGDIB DPP8 2450/4885DPP7 2221/4885HDAC3 1909/4885

“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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