SCHEMBL16625269

SCHEMBL16625269

CN1CCN(C(=O)c2ccc(-c3cc4c(F)ccc(F)c4c(=O)[nH]3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HRH4 Q9H3N8 5/20 0.51
RIPK1 Q13546 1/20 0.51
TNKS O95271 4/20 0.49
POLB P06746 2/20 0.48
PARP1 P09874 1/20 0.46
BRD4 O60885 1/20 0.43
EPHX2 P34913 1/20 0.43
ERN1 O75460 1/20 0.43
NTRK1 P04629 1/20 0.42

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
SCHEMBL16625237 0.94 TNKS (0.52) KMT2AMEN1HRH4RIPK1TNKS
SCHEMBL16625270 0.83 TNKS (0.61) KMT2AMEN1HRH4RIPK1TNKS
SCHEMBL16625249 0.83 ALDH1A1 (0.45) HRH4TNKSPOLBPARP1
SCHEMBL16625238 0.81 TNKS (0.74) KMT2AMEN1HRH4RIPK1TNKS
SCHEMBL16625272 0.79 TNKS (0.73) KMT2AMEN1HRH4RIPK1TNKS
SCHEMBL16625271 0.78 TNKS (0.57) KMT2AMEN1HRH4TNKSPARP1
SCHEMBL16625167 0.78 TNKS (0.73) RIPK1TNKSPOLBPARP1
SCHEMBL16625164 0.77 TNKS (0.60) KMT2AHRH4RIPK1TNKSPOLB
SCHEMBL18156508 0.75 KCNA5 (0.42) KMT2AMEN1TNKSPARP1
SCHEMBL16616731 0.72 TNKS (0.48) TNKSPOLBPARP1

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 5 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-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
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 KMT2A 1300/4885MEN1 4679/4885HRH4 4440/4885

“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.