Metoprine

Metoprine

SCHEMBL29463675

Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
IKBKB O14920 2/20 0.54
MAP3K14 Q99558 2/20 0.54
DHFR P00374 1/20 0.51
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
REN P00797 1/20 0.45
KMO O15229 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45

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
Metoprine SCHEMBL3681 1.00 NPC1 (0.54) NPC1RAB9AIKBKBMAP3K14DHFR
Metoprine SCHEMBL4529657 0.98 NPC1 (0.53) NPC1RAB9AIKBKBMAP3K14DHFR
SCHEMBL10999078 0.89 ALDH1A1 (0.48) NPC1RAB9AIKBKBMAP3K14DHFR
SCHEMBL4535505 0.83 HRH4 (0.47) DHFRKMO
SCHEMBL7271200 0.83 HEXA (0.42) NPC1RAB9ADHFRTP53CYP1A2
SCHEMBL7271143 0.83 HEXA (0.42) NPC1RAB9ADHFRTP53CYP1A2
SCHEMBL6049552 0.81 IKBKB (0.49) NPC1RAB9AIKBKBMAP3K14DHFR
SCHEMBL11593238 0.81 KMT2A (0.63) NPC1RAB9AIKBKBMAP3K14DHFR
SCHEMBL9485648 0.80 NCOA1 (0.72) DHFRTP53CYP1A2CYP3A4CYP2D6
Etoprine SCHEMBL3919 0.80 DHFR (0.70) DHFRTP53CYP1A2CYP3A4CYP2D6

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
EP-3441089-B1 TREATMENT METHODS USING ADENOVIRUS VASCULAR BIOGENICS LTD (IL) 2022-12-14 EP claimed
US-20220304972-A1 COMBINATION THERAPY AND BIOMARKER INDICATING EFFICACY THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-09-29 US disclosed
CN-114375310-A Several heterodimers and several methods of use thereof 卡尔医学有限公司 2022-04-19 CN 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-20220304972-A1 COMBINATION THERAPY AND BIOMARKER INDICATING EFFICACY THEREOF MSH2, PMS2, MSH6 NPC1 3578/4885RAB9A 4628/4885IKBKB 466/4885

“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.