SCHEMBL1079255

SCHEMBL1079255

COc1cnc2[nH]ccc2c1N1CCN(C(=O)c2csc3ccccc23)C2(CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
TRPC6 Q9Y210 1/20 0.40
JAK3 P52333 8/20 0.39
HTR1A P08908 4/20 0.39
HTR1D P28221 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
FFAR2 O15552 3/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
TYK2 P29597 1/20 0.36

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
SCHEMBL1078650 0.85 TRPC6 (0.46) TRPC6JAK3JAK2JAK1
SCHEMBL1079682 0.83 TRPC6 (0.41) TRPC6JAK3HTR1ADRD2DRD4
SCHEMBL1079123 0.81 ALDH1A1 (0.45) MAPTJAK3HTR1AALDH1A1HSD17B10
SCHEMBL1047525 0.81 JAK3 (0.55) JAK3JAK2
SCHEMBL1078517 0.81 CYP3A4 (0.43) TRPC6JAK3DRD2
SCHEMBL12958025 0.81 JAK3 (0.46) TRPC6JAK3
SCHEMBL1078157 0.80 TRPC6 (0.42) TRPC6JAK3DRD2DRD4DRD3
SCHEMBL1083165 0.79 CFD (0.42) MAPTTRPC6JAK3HTR1AALDH1A1
SCHEMBL1076115 0.78 JAK3 (0.57) JAK3ALDH1A1JAK2JAK1TYK2
SCHEMBL1077724 0.77 JAK3 (0.60) TRPC6JAK3JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451813-B1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA AS (DK) 2014-10-01 EP claimed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 US claimed
EP-2451813-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS Leo Pharma A/S (DK) 2012-05-16 EP claimed
WO-2011003418-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2011-01-13 WO claimed
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
EP-2451813-B1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA AS (DK) 2014-10-01 EP disclosed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 US disclosed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 US disclosed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 US disclosed
EP-2451813-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS Leo Pharma A/S (DK) 2012-05-16 EP disclosed
WO-2011003418-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2011-01-13 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-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS JAK1, JAK2, JAK3 MAPT 518/4885TRPC6 2191/4885JAK3 3/4885

“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.