SCHEMBL17227685

SCHEMBL17227685

O=c1nc(N2CCSCC2)[nH]c2ccsc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
LCK P06239 1/20 0.34
FLT3 P36888 1/20 0.34
MAP4K1 Q92918 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HTR3A P46098 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
AR P10275 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
PRKDC P78527 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRPC3 Q13507 1/20 0.31

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
SCHEMBL17227683 0.84 TP53 (0.50) PDPK1TSHRTP53ALDH1A1
SCHEMBL17223593 0.70 ERCC1 (0.46) PDPK1RAB9AARL3MBTL1PRKDC
SCHEMBL19002859 0.68 PDPK1 (0.43) PDPK1LCKFLT3MAP4K1TSHR
Potassium Ion SCHEMBL6436227 0.67 PDPK1 (0.42) PDPK1FLT3TSHRHTTRAB9A
SCHEMBL18641272 0.63 HTR2C (0.49) HTR3ATSHRRAB9A
SCHEMBL17227776 0.63 ALDH1A1 (0.47) ACHEHTR3ATSHRHTTALDH1A1
SCHEMBL17227684 0.63 ALDH1A1 (0.40) HTR3ATSHRRAB9ANPC1TP53
SCHEMBL5437924 0.62 SMN1; SMN2 (0.43) PDPK1RAB9ANPC1L3MBTL1HPGD
SCHEMBL17227682 0.61 KMT2A (0.48) ACHETSHRHTTALDH1A1
SCHEMBL31214324 0.61 HRH4 (0.70) BCHEACHEHTR3ARAB9ANPC1

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-10174032-B2 Heterocyclic compound classes for signaling modulation SIGNALRX PHARMACEUTICALS, INC. (US) 2019-01-08 US disclosed
US-20150315207-A1 Novel Heterocyclic Compound Classes for Signaling Modulation SIGNALRX PHARMACEUTICALS, INC. (US) 2015-11-05 US disclosed
US-20150315207-A1 Novel Heterocyclic Compound Classes for Signaling Modulation SIGNALRX PHARMACEUTICALS, INC. (US) 2015-11-05 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-20150315207-A1 Novel Heterocyclic Compound Classes for Signaling Modulation BRD3, BRPF3, BRD4 PDPK1 34/4885LCK 624/4885FLT3 865/4885
US-10174032-B2 Heterocyclic compound classes for signaling modulation BRD3, BRDT, BRPF3 PDPK1 53/4885LCK 487/4885FLT3 825/4885

“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.