SCHEMBL15775162

SCHEMBL15775162

CC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
AKR1C3 P42330 2/20 0.43
HTT P42858 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 5/20 0.41
NCF1 P14598 1/20 0.40
ROCK1 Q13464 1/20 0.39
RORC P51449 1/20 0.39
MAPT P10636 4/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AVPR1A P37288 3/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL15774772 0.90 HTT (0.44) ALDH1A1AKR1C3HTTPOLBLMNA
SCHEMBL16101246 0.86 CASP6 (0.42) ALDH1A1POLBLMNANCF1ROCK1
SCHEMBL14241714 0.86 ROCK1 (0.48) ALDH1A1HTTLMNAROCK1RORC
SCHEMBL14852168 0.85 USP30 (0.47) ALDH1A1AKR1C3LMNAMAPTTSHR
SCHEMBL30376626 0.85 USP30 (0.47) ALDH1A1AKR1C3LMNAMAPTTSHR
SCHEMBL426688 0.84 LMNA (0.58) ALDH1A1HTTLMNANCF1ROCK1
SCHEMBL29554269 0.83 MAPT (0.40) ALDH1A1HTTPOLBROCK1MAPT
SCHEMBL1934039 0.83 MAPT (0.40) ALDH1A1HTTPOLBROCK1MAPT
SCHEMBL15788039 0.82 LPL (0.36) ALDH1A1AKR1C3HTTLMNAROCK1
SCHEMBL790920 0.81 ALDH1A3 (0.47) ALDH1A1HTTPOLBLMNAMAPT

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
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 US disclosed
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 US disclosed
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 US disclosed
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LTD (CN) 2016-01-07 US disclosed
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LTD (CN) 2016-01-07 US disclosed
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LTD (CN) 2016-01-07 US disclosed
EP-2928888-A1 SUBSTITUTED PYRIDOPYRAZINES AS SYK INHIBITORS Hutchison Medipharma Limited (CN) 2015-10-14 EP disclosed
WO-2014086316-A1 SUBSTITUTED PYRIDOPYRAZINES AS SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-06-12 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 (2 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-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN ALDH1A1 3626/4885AKR1C3 3196/4885HTT 4554/4885
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN ALDH1A1 3626/4885AKR1C3 3196/4885HTT 4554/4885

“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.