SCHEMBL14784182

SCHEMBL14784182

Nc1nc(C(F)(F)F)c(Br)nc1C(=O)NNC(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 2/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
MEN1 O00255 4/20 0.43
POLB P06746 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 4/20 0.42
PLAU P00749 1/20 0.42
ELANE P08246 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.39
CNR2 P34972 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL14783355 0.81 CFTR (0.58) KMT2AALDH1A1PDCD1CD274MEN1
SCHEMBL28088014 0.75 CES1 (0.42) ALDH1A1PDCD1CD274KDM4ETDP1
SCHEMBL2372225 0.74 MLYCD (0.49) KMT2AALDH1A1MEN1SMN1; SMN2HDAC6
SCHEMBL14784231 0.72 PDK1 (0.36) KMT2AMEN1PLAULMNAMAPT
SCHEMBL2372260 0.71 CFTR (0.38) ALDH1A1KDM4EHTTTDP1PLAU
SCHEMBL2371638 0.70 HDAC2 (0.50) ALDH1A1SMN1; SMN2HDAC8HDAC6NPC1
SCHEMBL4722661 0.68 KMT2A (0.79) KMT2AALDH1A1PDCD1CD274MEN1
SCHEMBL14816556 0.68 MTOR (0.42) KMT2AMEN1SMN1; SMN2LMNANPC1
SCHEMBL7107935 0.67 ALDH1A1 (0.77) KMT2AALDH1A1MEN1POLBKDM4E
SCHEMBL2373061 0.66 NAMPT (0.40)

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-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-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

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 KMT2A 4300/4885ALDH1A1 1691/4885PDCD1 2037/4885

“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.