SCHEMBL14784342

SCHEMBL14784342

COc1nc(C(=O)NN)c(NC(=O)OC(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.49
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
AAK1 Q2M2I8 5/20 0.37
METAP1 P53582 1/20 0.34
MAPK3 P27361 1/20 0.34

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
SCHEMBL14783859 0.87 CFTR (0.44) CFTRRXFP1LMNAPOLBCACNA1H
SCHEMBL14783863 0.86 CFTR (0.50) CFTRMAPK3
SCHEMBL14783402 0.78 CFTR (0.39) CFTRRXFP1LMNAPOLBMETAP1
SCHEMBL30512420 0.77 CFTR (0.34) CFTRAAK1
SCHEMBL25378522 0.77 CFTR (0.34) CFTRAAK1
SCHEMBL25378538 0.77 CFTR (0.34) CFTRAAK1
SCHEMBL25378528 0.77 CFTR (0.34) CFTRAAK1
SCHEMBL26195509 0.75 CFTR (0.33) CFTRAAK1
SCHEMBL25378893 0.74 CDK1 (0.38) CFTRRXFP1LMNAPOLBCACNA1H
SCHEMBL31208048 0.74 CDK1 (0.38) CFTRRXFP1LMNAPOLBCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755967-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS NOVARTIS AG (CH) 2015-10-21 EP disclosed
EP-2755967-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS NOVARTIS AG (CH) 2015-10-21 EP disclosed
US-9034879-B2 Heterocyclic compounds for the treatment of CF NOVARTIS AG (CH) 2015-05-19 US disclosed
US-9034879-B2 Heterocyclic compounds for the treatment of CF NOVARTIS AG (CH) 2015-05-19 US disclosed
US-9034879-B2 Heterocyclic compounds for the treatment of CF NOVARTIS AG (CH) 2015-05-19 US disclosed
US-20140228376-A1 Heterocyclic Compounds for the Treatment of CF NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20140228376-A1 Heterocyclic Compounds for the Treatment of CF NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20140228376-A1 Heterocyclic Compounds for the Treatment of CF NOVARTIS AG (CH) 2014-08-14 US disclosed
EP-2755967-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS Novartis AG (CH) 2014-07-23 EP disclosed
WO-2013038386-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS NOVARTIS AG (CH) 2013-03-21 WO disclosed
WO-2013038386-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS NOVARTIS AG (CH) 2013-03-21 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 (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-20140228376-A1 Heterocyclic Compounds for the Treatment of CF CFTR, OPRD1, OPRK1 CFTR 1/4885RXFP1 340/4885LMNA 4506/4885

“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.