SCHEMBL24329377

SCHEMBL24329377

O=C(Nc1nc2ccncc2s1)c1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.69
NPC1 O15118 11/20 0.69
SMN1; SMN2 Q16637 7/20 0.69
HTT P42858 6/20 0.69
PKM P14618 4/20 0.69
MAPT P10636 5/20 0.66
OPRK1 P41145 4/20 0.66
AGTR1 P30556 2/20 0.66
POLB P06746 2/20 0.66
TDP1 Q9NUW8 1/20 0.66
KMT2A Q03164 6/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SCD O00767 2/20 0.56
ROCK2 O75116 2/20 0.56
MEN1 O00255 5/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 3/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54

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
SCHEMBL6229312 0.86 NPC1 (0.76) RAB9ANPC1SMN1; SMN2HTTPKM
SCHEMBL26884020 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HTTPKM
SCHEMBL19270374 0.79 RAB9A (0.72) RAB9ANPC1SMN1; SMN2HTTPKM
SCHEMBL26884209 0.78 NPC1 (0.51) RAB9ANPC1SMN1; SMN2HTTPKM
SCHEMBL17987824 0.78 HSP90AA1 (0.59) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL26645981 0.77 ROCK2 (0.56) RAB9ANPC1SMN1; SMN2HTTPKM
SCHEMBL30608755 0.77 NPC1 (0.62) RAB9ANPC1SMN1; SMN2HTTPKM
SCHEMBL29074213 0.77 NPC1 (0.62) RAB9ANPC1SMN1; SMN2HTTPKM
SCHEMBL26658228 0.77 RAB9A (0.82) RAB9ANPC1SMN1; SMN2HTTPKM
SCHEMBL24329695 0.77 RAB9A (0.60) RAB9ANPC1SMN1; SMN2HTTPKM

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 RAB9A 3504/4885NPC1 2133/4885SMN1; SMN2 4696/4885

“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.