SCHEMBL18477160

SCHEMBL18477160

CC1CN(C(=S)N/N=C2/CCNc3cccnc32)CCN1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.34
REN P00797 2/20 0.32
CTSL P07711 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
PRKCQ Q04759 2/20 0.31
HKDC1 Q2TB90 1/20 0.30

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
SCHEMBL18477159 0.90 HSP90AA1 (0.33) HSP90AA1CTSLHKDC1
SCHEMBL18477151 0.89 REN (0.34) HSP90AA1RENCTSL
SCHEMBL18477150 0.88 REN (0.35) HSP90AA1RENCTSLPRKCQ
SCHEMBL18477166 0.87 HSP90AA1 (0.38) HSP90AA1CTSLHKDC1
SCHEMBL18476896 0.84 HSP90AA1 (0.33) HSP90AA1RENHRH4PRKCQ
SCHEMBL20414196 0.83 ATR (0.30) CTSL
SCHEMBL18477858 0.83 HSP90AA1 (0.33) HSP90AA1RENCTSLHRH4PRKCQ
SCHEMBL18479556 0.83 HRH4 (0.32) CTSLHRH4
SCHEMBL18477152 0.83 HSP90AA1 (0.39) HSP90AA1CTSLHRH4HKDC1
SCHEMBL18477181 0.83 REN (0.30) REN

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 158/4885REN 691/4885CTSL 2976/4885
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS TPMT, MKI67, TST HSP90AA1 158/4885REN 691/4885CTSL 2976/4885

“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.