SCHEMBL4783390

SCHEMBL4783390

COC(=O)c1ccc2c(c1)c(C)nn2C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAP2K4 P45985 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
BRD4 O60885 1/20 0.39
ELANE P08246 5/20 0.38
F2 P00734 2/20 0.38
PLAU P00749 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38
FGFR1 P11362 1/20 0.38
KIF11 P52732 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL15687456 0.90 BRD4 (0.41) KDM4EMAP2K4NPC1RAB9ABRD4
SCHEMBL18108772 0.86 MAP2K4 (0.44) KDM4EMAP2K4NPC1RAB9ABRD4
SCHEMBL2861583 0.86 ELANE (0.42) KDM4EMAP2K4NPC1RAB9ABRD4
SCHEMBL15724312 0.83 ELANE (0.44) KDM4EMAP2K4ELANELMNA
SCHEMBL19586922 0.82 HTR6 (0.46) KDM4EMAP2K4ELANEHPGDHSD17B10
SCHEMBL3517327 0.81 MAP2K4 (0.44) MAP2K4BRD4ELANE
SCHEMBL931118 0.81 ELANE (0.43) MAP2K4ELANEPLAU
SCHEMBL21012205 0.80 MAP2K4 (0.41) KDM4EMAP2K4NPC1RAB9ABRD4
SCHEMBL18108638 0.79 KDM4E (0.46) KDM4EMAP2K4NPC1RAB9AF2
SCHEMBL31746505 0.79 RORC (0.40) KDM4EMAP2K4NPC1RAB9ABRD4

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 WO 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR KDM4E 1212/4885MAP2K4 1105/4885NPC1 3090/4885

“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.