SCHEMBL24329832

SCHEMBL24329832

COCCn1ccc(C(=O)Nc2nc3cccnc3s2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 6/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.40
OPRK1 P41145 2/20 0.40
PKM P14618 2/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BUB1 O43683 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
HTT P42858 2/20 0.39
AR P10275 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SCD O00767 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL24329370 0.87 NPC1 (0.43) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL26603055 0.85 POLB (0.48) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL24329371 0.80 NPC1 (0.47) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL24329367 0.76 HCRTR1 (0.43) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL24329695 0.75 RAB9A (0.60) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL24329369 0.72 NPC1 (0.53) NPC1RAB9APOLBMAPTOPRK1
SCHEMBL185171 0.71 DYRK1A (0.60) NPC1RAB9APOLBKMT2ASMN1; SMN2
SCHEMBL21209600 0.71 AR (0.45) NPC1RAB9APOLBMAPTKMT2A
SCHEMBL5740431 0.70 RAB9A (0.70) NPC1RAB9AMAPTPKMKMT2A
SCHEMBL24329828 0.69 RAB9A (0.44) NPC1RAB9APOLBMAPTPKM

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-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 US disclosed
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 US disclosed
WO-2022082071-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF US THEREOF CARTHRONIX, INC. (US) 2022-04-21 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-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF STAT1, STAT3, STAT6 NPC1 2133/4885RAB9A 3504/4885POLB 3295/4885

“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.