SCHEMBL16627261

SCHEMBL16627261

CN(C)CCN1CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.52
TIPARP Q7Z3E1 1/20 0.51
HTR7 P34969 1/20 0.49
GPR39 O43194 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
PANK3 Q9H999 7/20 0.47
PARP1 P09874 2/20 0.46
SMO Q99835 3/20 0.46
EGLN1 Q9GZT9 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL4287978 0.85 DRD2 (0.53) RETHTR7GPR39PDE3BPDE3A
SCHEMBL15271400 0.82 GAA (0.52) HTR7GPR39PDE3BPDE3APANK3
SCHEMBL2828952 0.82 SMO (0.53) HTR7GPR39PDE3BPDE3APANK3
SCHEMBL26292614 0.82 RET (0.56) RETTIPARPHTR7GPR39PDE3B
SCHEMBL14924445 0.81 DRD2 (0.56) RETHTR7PANK3ALDH1A1L3MBTL1
SCHEMBL19748777 0.81 DRD2 (0.50) TIPARPHTR7GPR39PDE3BPDE3A
SCHEMBL21521157 0.80 HTR7 (0.50) TIPARPHTR7GPR39PDE3BPDE3A
SCHEMBL3592250 0.80 KDM4E (0.54) HTR7PANK3SMOKDM4EALDH1A1
SCHEMBL3398177 0.80 TLR7 (0.46) RETHTR7
SCHEMBL26291417 0.80 TIPARP (0.54) RETTIPARPHTR7GPR39PDE3B

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 RET 3307/4885TIPARP 37/4885HTR7 1548/4885

“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.