SCHEMBL16627292

SCHEMBL16627292

N#Cc1ccc(NC(CO)CO)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DPP7 Q9UHL4 2/20 0.41
FYN P06241 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
USP30 Q70CQ3 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
DPP4 P27487 4/20 0.38
VNN1 O95497 1/20 0.37
DEGS1 O15121 1/20 0.37
IDH1 O75874 1/20 0.36
DPP8 Q6V1X1 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
SCHEMBL19745878 0.79 IRAK4 (0.48) MEN1KMT2AIRAK4
SCHEMBL19745879 0.79 IRAK4 (0.48) MEN1KMT2AIRAK4
SCHEMBL24340435 0.79 ALDH1A1 (0.47) FYNIRAK4HCAR3HCAR2VNN1
SCHEMBL24340436 0.79 ALDH1A1 (0.47) FYNIRAK4HCAR3HCAR2VNN1
SCHEMBL29313063 0.78 HCAR3 (0.44) MEN1KMT2ADPP7TMPRSS4USP30
SCHEMBL2815504 0.77 HCAR3 (0.49) MEN1KMT2ADPP7IRAK4TMPRSS4
SCHEMBL1724786 0.76 EGLN2 (0.44) MEN1KMT2ADPP7IRAK4TMPRSS4
SCHEMBL19249517 0.75 HCAR3 (0.55) MEN1KMT2ADPP7FYNIRAK4
SCHEMBL1726095 0.75 DPP7 (0.50) MEN1KMT2ADPP7TMPRSS4DPP4
SCHEMBL27615742 0.75 DPP7 (0.41) MEN1KMT2ADPP7IRAK4TMPRSS4

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 MEN1 4679/4885KMT2A 1300/4885DPP7 2378/4885

“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.