SCHEMBL12367264

SCHEMBL12367264

C[C@H]1CCCN(c2ccnc3ccc(Br)cc23)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.57
CDK8 P49336 1/20 0.43
JAK3 P52333 1/20 0.42
PRKDC P78527 1/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAP4K4 O95819 1/20 0.40
CHRM4 P08173 1/20 0.40
ATR Q13535 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
PBK Q96KB5 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL13457761 0.85 NCF1 (0.57) NCF1HTTCHRM4PBKPKM
SCHEMBL29472100 0.82 NCF1 (0.76) NCF1CDK8HTTPKMALOX15
SCHEMBL22715673 0.82 NCF1 (0.76) NCF1CDK8HTTPKMALOX15
SCHEMBL2621788 0.82 NCF1 (0.57) NCF1CDK8HTTMAP4K4ATR
SCHEMBL731691 0.81 NCF1 (0.74) NCF1HTTPKMALOX15CASP1
SCHEMBL12367223 0.79 PKM (0.44) CDK8JAK3PRKDCHTTKDM4E
SCHEMBL3852821 0.79 NCF1 (0.56) NCF1HTTCHRM4NPSR1
SCHEMBL13457766 0.78 ATR (0.39) NCF1CDK8JAK3PRKDCHTT
SCHEMBL12367269 0.78 ATR (0.39) NCF1CDK8JAK3PRKDCHTT
SCHEMBL27824187 0.78 NCF1 (0.49) NCF1CDK8KDM4EPBKNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 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-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 NCF1 3094/4885CDK8 62/4885JAK3 217/4885

“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.