SCHEMBL797117

SCHEMBL797117

CC(C)(C)OC(=O)N1CCC(C(=O)NNc2cnc3ccc(Br)cc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
USP30 Q70CQ3 1/20 0.42
STS P08842 8/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
EPHX2 P34913 2/20 0.41
BACE1 P56817 1/20 0.40
HPGD P15428 1/20 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
SCHEMBL27904307 0.86 ABL1 (0.41) KMT2AABL1EPHX2
SCHEMBL797194 0.84 ABL1 (0.51) ABL1HPGD
SCHEMBL2621770 0.80 CHEK2 (0.43) GPR119USP30
SCHEMBL31548531 0.80 CHEK2 (0.43) GPR119USP30
SCHEMBL20374557 0.80 USP30 (0.38) GPR119USP30BACE1
SCHEMBL807840 0.80 ABL1 (0.44) ABL1
SCHEMBL24752969 0.79 CHEK2 (0.48) GPR119
SCHEMBL31510069 0.79 PTPN2 (0.57) KMT2APTPN2PTPN1PTPN6NPC1
SCHEMBL31548192 0.79 GPR119 (0.52) GPR119USP30
SCHEMBL889068 0.77 USP30 (0.49) KMT2APTPN2PTPN1PTPN6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 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-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR KMT2A 4123/4885PTPN2 4381/4885PTPN1 4362/4885

“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.