SCHEMBL18477152

SCHEMBL18477152

CN1CCN(C(=S)N/N=C2/CCNc3cccnc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.39
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MITF O75030 1/20 0.36
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL18479604 0.94 HSP90AA1 (0.40) HSP90AA1HRH4HRH3MITFKDM4E
SCHEMBL18477154 0.89 PTAFR (0.40) HSP90AA1MITFHRH1HKDC1
SCHEMBL18477166 0.89 HSP90AA1 (0.38) HSP90AA1KDM4EPOLBKMT2ACTSL
SCHEMBL18479606 0.89 HSP90AA1 (0.40) HSP90AA1HRH4HRH3MITFKDM4E
SCHEMBL18477165 0.88 LMNA (0.37) HSP90AA1KDM4EPOLBLMNAKMT2A
SCHEMBL18477157 0.88 HSP90AA1 (0.37) HSP90AA1HRH3MITFKDM4EPOLB
SCHEMBL18479516 0.88 KDM4E (0.47) KDM4ELMNAKMT2AMEN1MAPT
SCHEMBL18477153 0.87 MAPK1 (0.42) HSP90AA1KDM4EPOLBLMNAKMT2A
SCHEMBL18477144 0.87 HSP90AA1 (0.38) HSP90AA1MITFKDM4EPOLBLMNA
SCHEMBL18477155 0.87 ALDH1A1 (0.41) HSP90AA1KDM4EKMT2ACTSLMEN1

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-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
WO-2017024315-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC (US) 2017-02-09 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 (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 HSP90AA1 158/4885HRH4 1534/4885HRH3 1935/4885
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS TPMT, MKI67, TST HSP90AA1 158/4885HRH4 1534/4885HRH3 1935/4885

“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.