SCHEMBL20414239

SCHEMBL20414239

S=C(N/N=C1/CCNc2cccnc21)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ATG4B Q9Y4P1 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
CCR6 P51684 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 2/20 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
SCHEMBL18477861 0.86 CTSL (0.37) RAB9ASMN1; SMN2CTSL
SCHEMBL18476984 0.83 NPC1 (0.36) MAPTRAB9ASMN1; SMN2GAAKMT2A
SCHEMBL18477265 0.82 CTSL (0.53) GAAKMT2AALDH1A1NPSR1KDM4E
SCHEMBL18477902 0.81 GAA (0.39) MAPTRAB9ASMN1; SMN2GAAKMT2A
SCHEMBL18477882 0.81 ALDH1A1 (0.44) MAPTRAB9ASMN1; SMN2GAAKMT2A
SCHEMBL20414240 0.81 ALDH1A1 (0.40) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL18477885 0.80 ALDH1A1 (0.41) MAPTRAB9ASMN1; SMN2GAAKMT2A
SCHEMBL18477260 0.77 SMN1; SMN2 (0.39) MAPTRAB9ASMN1; SMN2GAAKMT2A
SCHEMBL18477864 0.76 GAA (0.37) MAPTRAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL18477166 0.76 HSP90AA1 (0.38) KMT2AKDM4EHSP90AA1CTSLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392397-B2 Heterocyclic thiosemicarbazone derivatives and their therapeutical applications NANTBIO, INC. (US) 2019-08-27 US disclosed
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC 2018-07-26 US disclosed
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC 2018-07-26 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 (2 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-10392397-B2 Heterocyclic thiosemicarbazone derivatives and their therapeutical applications TPMT, MKI67, TST MAPT 3621/4885RAB9A 3916/4885SMN1; SMN2 2680/4885
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS TPMT, MKI67, TST MAPT 3621/4885RAB9A 3916/4885SMN1; SMN2 2680/4885

“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.