SCHEMBL2123496

SCHEMBL2123496

[C]#Cc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.50
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SLC22A12 Q96S37 1/20 0.45
BRD4 O60885 1/20 0.45
HSD11B1 P28845 1/20 0.45
ALPL P05186 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
KIT P10721 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SGK1 O00141 1/20 0.42
BRAF P15056 1/20 0.41

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
SCHEMBL28271809 0.80 HTR6 (0.55) PTK2BLMNAL3MBTL1BRD4HSD11B1
SCHEMBL4878331 0.78 KIT (0.46) LMNAL3MBTL1HSD11B1ALPLKDM4E
SCHEMBL1126864 0.74 LMNA (0.64) PTK2BLMNAL3MBTL1BRD4HSD11B1
SCHEMBL14921754 0.73 ALPL (0.78) ALPLALDH1A1KDM4EGLARAB9A
SCHEMBL29118881 0.72 SGK1 (0.58) PTK2BBRD4KDM4EGLARAB9A
SCHEMBL95455 0.72 SGK1 (0.52) PTK2BBRD4KDM4EGLARAB9A
SCHEMBL2157999 0.69 PTK2B (0.47) PTK2BLMNAL3MBTL1BRD4ALPL
SCHEMBL25754792 0.69 SGK1 (0.52) PTK2BLMNAALDH1A1GLASGK1
SCHEMBL28565925 0.69 SGK1 (0.49) PTK2BBRD4KDM4EGLARAB9A
SCHEMBL14921432 0.69 SCN5A (0.53) KDM4EGLARAB9AATM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045457-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2016-07-20 EP disclosed
EP-2443117-B1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-03-23 EP disclosed
US-8969366-B2 Substituted pyrimidinylpyrrolopyridinone derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-03 US disclosed
US-20130345245-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-26 US disclosed
US-8546413-B2 Substituted pyrimidinylpyrrolopyridinone derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-01 US disclosed
US-20120178770-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-07-12 US disclosed
EP-2443117-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-04-25 EP disclosed
WO-2010145998-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-12-23 WO 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 (2 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-20130345245-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP3K1 PTK2B 130/4885LMNA 3036/4885L3MBTL1 3971/4885
US-20120178770-A1 SUBSTITUTED PYRIMIDINYLPYRROLOPYRIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP3K1 PTK2B 130/4885LMNA 3036/4885L3MBTL1 3971/4885

“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.