SCHEMBL12367223

SCHEMBL12367223

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHKA P35790 1/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CDK8 P49336 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
JAK3 P52333 1/20 0.41
PRKDC P78527 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 2/20 0.41
GRM4 Q14833 2/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRM4 P08173 1/20 0.40
CYP8B1 Q9UNU6 3/20 0.40

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
SCHEMBL13457582 0.85 PKM (0.44) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL12367241 0.81 KDM4E (0.40) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL13457878 0.81 KDM4E (0.40) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL12367264 0.79 NCF1 (0.57) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL12367239 0.79 MAPT (0.42) CDK8KMT2ATDP1HTTNPSR1
SCHEMBL13457594 0.79 MAPT (0.42) CDK8KMT2ATDP1HTTNPSR1
SCHEMBL12367224 0.78 PRKDC (0.38) NPC1KDM4ECDK8ATMKMT2A
SCHEMBL13457584 0.78 PRKDC (0.38) NPC1KDM4ECDK8ATMKMT2A
SCHEMBL27824180 0.78 IDE (0.43) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL27824181 0.78 MEN1 (0.41) PKMALOX15CASP1HSD17B10CHKA

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 PKM 524/4885ALOX15 4619/4885CASP1 3297/4885

“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.