SCHEMBL16616770

SCHEMBL16616770

CN1CCC(CNC(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.67
EGLN1 Q9GZT9 3/20 0.61
CCR3 P51677 1/20 0.53
HDAC4 P56524 1/20 0.53
DPP4 P27487 2/20 0.52
FASN P49327 1/20 0.51
CHRM4 P08173 1/20 0.50
AR P10275 1/20 0.50
EGLN2 Q96KS0 1/20 0.49
VNN1 O95497 1/20 0.49
USP30 Q70CQ3 1/20 0.49

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
SCHEMBL13162005 0.84 NAMPT (0.59) NAMPTEGLN1FASNVNN1
SCHEMBL12093537 0.83 MMP13 (0.61) NAMPTHDAC4
SCHEMBL23630645 0.82 NAMPT (0.60) NAMPTHDAC4
SCHEMBL1448089 0.82 NAMPT (0.57) NAMPTHDAC4
SCHEMBL22122859 0.82 NAMPT (0.66) NAMPTHDAC4
SCHEMBL3709218 0.82 NAMPT (1.00) NAMPT
SCHEMBL19226529 0.81 NAMPT (0.59) NAMPTHDAC4
SCHEMBL12090016 0.80 NAMPT (0.58) NAMPTHDAC4
SCHEMBL16109197 0.78 EGLN1 (0.70) NAMPTEGLN1
SCHEMBL3709083 0.78 NAMPT (1.00) NAMPT

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 NAMPT 401/4885EGLN1 513/4885CCR3 4202/4885

“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.