SCHEMBL16627289

SCHEMBL16627289

CN(C)C1CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.55
EGLN2 Q96KS0 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PANK3 Q9H999 7/20 0.46
JAK3 P52333 4/20 0.46
JAK2 O60674 3/20 0.46
SMO Q99835 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
DPP4 P27487 1/20 0.44

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
SCHEMBL16627288 0.92 EGLN2 (0.57) GPR119EGLN2KDM4EALDH1A1L3MBTL1
SCHEMBL17687593 0.84 GPR119 (0.52) GPR119PANK3JAK3JAK2SMO
SCHEMBL9923317 0.84 GPR119 (0.58) GPR119EGLN2KDM4EALDH1A1L3MBTL1
SCHEMBL1347347 0.81 GPR119 (0.55) GPR119KDM4EALDH1A1L3MBTL1PANK3
SCHEMBL12099334 0.81 GPR119 (0.55) GPR119KDM4EALDH1A1L3MBTL1PANK3
SCHEMBL12327619 0.81 GPR119 (0.55) GPR119KDM4EALDH1A1L3MBTL1PANK3
SCHEMBL12424419 0.80 GPR119 (0.55) GPR119KDM4EALDH1A1L3MBTL1PANK3
SCHEMBL20985879 0.80 GPR119 (0.55) GPR119KDM4EALDH1A1L3MBTL1PANK3
SCHEMBL12384454 0.80 GPR119 (0.55) GPR119KDM4EALDH1A1L3MBTL1PANK3
SCHEMBL9920475 0.80 GPR119 (0.55) GPR119KDM4EALDH1A1L3MBTL1PANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 GPR119 2578/4885EGLN2 415/4885KDM4E 1190/4885

“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.