SCHEMBL16627288

SCHEMBL16627288

CN(C)C1CCN(c2ccc(C#N)cn2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.57
GPR119 Q8TDV5 1/20 0.50
MAP4K4 O95819 1/20 0.50
JAK3 P52333 7/20 0.49
JAK2 O60674 6/20 0.49
HRH3 Q9Y5N1 2/20 0.46
HRH4 Q9H3N8 1/20 0.46
KDM1A O60341 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
JAK1 P23458 3/20 0.45
MCHR1 Q99705 1/20 0.44
RET P07949 2/20 0.44
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 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
SCHEMBL16627289 0.92 GPR119 (0.55) EGLN2GPR119JAK3JAK2KDM1A
SCHEMBL17687592 0.85 DPP4 (0.48) EGLN2GPR119MAP4K4JAK3JAK2
SCHEMBL12951110 0.80 MAP4K4 (0.51) GPR119MAP4K4JAK2HRH3HRH4
SCHEMBL17969641 0.80 JAK2 (0.48) EGLN2GPR119JAK3JAK2JAK1
SCHEMBL17687593 0.80 GPR119 (0.52) GPR119JAK3JAK2JAK1DPP4
SCHEMBL950877 0.79 DPP4 (0.51) GPR119JAK3JAK2KDM4EALDH1A1
SCHEMBL18903989 0.79 MAP4K4 (0.50) MAP4K4HRH3HRH4MCHR1
SCHEMBL1750039 0.79 MAP4K4 (0.56) MAP4K4HRH3HRH4MCHR1
SCHEMBL22165062 0.79 MAP4K4 (0.56) MAP4K4HRH3HRH4MCHR1
SCHEMBL15205495 0.79 MCHR1 (0.55) MAP4K4JAK2HRH3HRH4JAK1

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 EGLN2 415/4885GPR119 2578/4885MAP4K4 499/4885

“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.