SCHEMBL6853387

SCHEMBL6853387

CC(C)C[C@@H](N)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KCNA5 P22460 6/20 0.43
KCNH2 Q12809 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNE1 P15382 2/20 0.41
CYP2D6 P10635 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CYP1A2 P05177 3/20 0.40
CHRM2 P08172 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 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
SCHEMBL8297661 1.00 TSHR (0.46) TSHRKCNA5KCNH2TAAR1SLC6A2
SCHEMBL14873379 1.00 TSHR (0.46) TSHRKCNA5KCNH2TAAR1SLC6A2
SCHEMBL31482241 1.00 TSHR (0.46) TSHRKCNA5KCNH2TAAR1SLC6A2
SCHEMBL16124412 1.00 TSHR (0.46) TSHRKCNA5KCNH2TAAR1SLC6A2
SCHEMBL15958215 0.90 TSHR (0.47) TSHRKCNA5KCNH2TAAR1SLC6A2
SCHEMBL23689568 0.80 TSHR (0.48) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL311511 0.80 KCNA5 (0.50) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL10203032 0.80 TSHR (0.48) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL1579392 0.80 KCNA5 (0.50) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL30682711 0.80 KCNA5 (0.50) TSHRKCNA5KCNH2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
WO-2011013644-A1 SUBSTITUTED PIPERIDINE COMPOUND 第一三共株式会社 (JP) 2011-02-03 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-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 TSHR 2912/4885KCNA5 2880/4885KCNH2 1785/4885

“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.