SCHEMBL8252715

SCHEMBL8252715

O=C1Nc2cc(NC3CC3)ccc2OC1(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
SYK P43405 2/20 0.36
JAK2 O60674 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
FGFR4 P22455 1/20 0.36
IP6K1 Q92551 1/20 0.35
GAA P10253 1/20 0.34
PRKCQ Q04759 2/20 0.34
NTRK1 P04629 1/20 0.34
FLT3 P36888 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
AR P10275 4/20 0.34
SMYD3 Q9H7B4 2/20 0.34
BRD4 O60885 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL56945 0.83 KDM4E (0.50) JAK1JAK3SYKBRD4KDM4E
SCHEMBL89196 0.74 GAA (0.60) GAASMYD3TRPV1ALDH1A1SMN1; SMN2
SCHEMBL14292808 0.71 LMNA (0.43) JAK1JAK3GAABRD4KDM4E
SCHEMBL13376291 0.71 TGM2 (0.36) JAK1JAK3SYKJAK2EGFR
SCHEMBL8265565 0.71 MMP12 (0.50) JAK1JAK3GAABRD4KDM4E
SCHEMBL23461578 0.71 ULK1 (0.54) NTRK1FLT3NTRK3NTRK2SMYD3
SCHEMBL656665 0.71 JAK1 (0.40) JAK1JAK3SYKJAK2EGFR
SCHEMBL8265417 0.69 PRKCQ (0.36) GAAPRKCQSMYD3ALDH1A1SMN1; SMN2
SCHEMBL15651034 0.69 ALDH1A1 (0.39) JAK1JAK3SYKJAK2EGFR
SCHEMBL14885454 0.69 JAK1 (0.38) JAK1JAK3SYKJAK2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (3 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-20110263560-A1 Organic Compounds REN, ACE, OTC JAK1 1941/4885JAK3 1590/4885SYK 1112/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 JAK1 1836/4885JAK3 2362/4885SYK 2314/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO JAK1 2673/4885JAK3 2172/4885SYK 1166/4885

“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.