SCHEMBL23719294

SCHEMBL23719294

O=C(Nc1ccccc1)Nc1c[nH]nc1-c1nccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.54
AURKA O14965 1/20 0.54
CDK2 P24941 1/20 0.54
GSK3B P49841 1/20 0.54
KDR P35968 2/20 0.43
IDH2 P48735 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 4/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
GAA P10253 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL22828673 0.82 MEN1 (0.47) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL23719293 0.82 SMN1; SMN2 (0.39) PIM1AURKACDK2GSK3BKDR
SCHEMBL23719252 0.79 TP53 (0.52) CDK2GSK3BSMN1; SMN2MEN1KMT2A
SCHEMBL23719268 0.79 ADORA3 (0.51) PIM1AURKACDK2GSK3BKDR
SCHEMBL23719163 0.77 IDH2 (0.49) KDRIDH2SMN1; SMN2MEN1KMT2A
SCHEMBL23719151 0.73 KMT2A (0.49) KDRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23719200 0.72 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AMAPTTAAR1
SCHEMBL4600722 0.71 AURKA (1.00) PIM1AURKACDK2GSK3BSMN1; SMN2
SCHEMBL3777152 0.70 ECE1 (0.46) CDK2GSK3BSMN1; SMN2NPC1RAB9A
SCHEMBL22828374 0.68 STING1 (0.55) MEN1KMT2AMAPTNPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 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 (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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 PIM1 2978/4885AURKA 3471/4885CDK2 3980/4885

“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.