SCHEMBL12367226

SCHEMBL12367226

C[C@H]1CCCN(c2c(F)cnc3cnc(Cl)cc23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
CYP8B1 Q9UNU6 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.38
LRRK2 Q5S007 2/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GRM4 Q14833 1/20 0.36
PRKDC P78527 1/20 0.36
CHRM4 P08173 1/20 0.36
JAK3 P52333 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL28790212 0.79 MEN1 (0.37) CYP8B1MEN1KMT2AGRM4CHRM4
SCHEMBL12367227 0.79 ADRB2 (0.37) ADRB2TP53POLBCYP8B1MEN1
SCHEMBL28790211 0.78 CYP8B1 (0.38) CYP8B1MEN1KMT2AALDH1A1MAPT
SCHEMBL2231879 0.78 CYP8B1 (0.40) ADRB2CYP8B1MEN1KMT2AMAPT
SCHEMBL12367223 0.77 PKM (0.44) CYP8B1KMT2AKDM4ENPC1ATM
SCHEMBL2205071 0.77 BTK (0.52) MEN1KMT2AJAK3
SCHEMBL31262550 0.69 KDM4E (0.42) TP53KDM4ENPC1ATMHTT
SCHEMBL22796061 0.67 MAP4K4 (0.49) TP53KDM4ENPC1ATMHTT
SCHEMBL23515049 0.65 GRM4 (0.43) TP53KDM4ENPC1ATMHTT
SCHEMBL14316047 0.65 NPC1 (0.46) TP53KDM4ENPC1ATMHTT

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 ADRB2 4858/4885TP53 24/4885POLB 1282/4885

“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.