SCHEMBL12367241

SCHEMBL12367241

C[C@H]1CCCN(c2ccnc3cnc(-c4nc(Cl)ccc4N)cc23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
CDK8 P49336 1/20 0.39
PIM1 P11309 2/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAP4K4 O95819 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
JAK3 P52333 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.36
ATM Q13315 1/20 0.36
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHKA P35790 1/20 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
SCHEMBL13457878 1.00 KDM4E (0.40) KDM4EHTTCDK8PIM1PIM3
SCHEMBL13457594 0.85 MAPT (0.42) HTTCDK8KMT2ATDP1NPSR1
SCHEMBL12367239 0.85 MAPT (0.42) HTTCDK8KMT2ATDP1NPSR1
SCHEMBL27843182 0.83 IDE (0.37) PIM1PIM3PIM2ATRPKM
SCHEMBL27843186 0.83 BTK (0.35) PIM1PIM3PIM2KMT2ACYP8B1
SCHEMBL12367223 0.81 PKM (0.44) KDM4EHTTCDK8ATRATRIP
SCHEMBL2203484 0.81 MAP4K4 (0.48) MAP4K4JAK3
SCHEMBL2203481 0.81 MAP4K4 (0.48) MAP4K4JAK3
SCHEMBL2264863 0.76 PIM3 (0.46) PIM1PIM3PIM2PBK
SCHEMBL2264870 0.76 PIM3 (0.46) PIM1PIM3PIM2PBK

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 KDM4E 638/4885HTT 3059/4885CDK8 62/4885

“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.