SCHEMBL9918372

SCHEMBL9918372

Cc1ccc(C(c2nccn2C)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
CYP19A1 P11511 2/20 0.38
PKM P14618 2/20 0.37
CYP2D6 P10635 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
LPO P22079 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.32
FGB P02675 1/20 0.32
TNNI3 P19429 1/20 0.32

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
SCHEMBL9920180 0.81 KDM4E (0.48) KDM4EL3MBTL1MAPTTSHRPKM
SCHEMBL4065140 0.75 KDM4E (0.52) KDM4EL3MBTL1MAPTTSHRPKM
SCHEMBL9516896 0.71 ACHE (0.47) TSHRCYP19A1ALDH1A1LMNAGAA
SCHEMBL24453153 0.70 KDM4E (0.47) KDM4EL3MBTL1MAPTTSHRPKM
SCHEMBL22567592 0.70 KDM4E (0.47) KDM4EL3MBTL1MAPTTSHRPKM
Toluene SCHEMBL28782370 0.70 KDM4E (0.61) KDM4EL3MBTL1MAPTCYP2D6ALOX15
SCHEMBL48851 0.69
SCHEMBL4065142 0.69 KDM4E (0.50) KDM4EL3MBTL1MAPTTSHRPKM
SCHEMBL696487 0.68 KDM4E (0.50) KDM4EL3MBTL1MAPTTSHRPKM
Fluoride SCHEMBL27856600 0.68 KDM4E (0.48) KDM4EL3MBTL1MAPTTSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KDM4E 477/4885L3MBTL1 4676/4885MAPT 4399/4885

“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.