SCHEMBL21912263

SCHEMBL21912263

CC1(C)OB(c2ccc(OCCCOC3CCCCO3)nc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
USP30 Q70CQ3 1/20 0.36
CHEK1 O14757 1/20 0.32
HIF1A Q16665 1/20 0.31
LPL P06858 5/20 0.31
LIPG Q9Y5X9 5/20 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
SCHEMBL31294762 0.86 DGAT1 (0.41) DGAT1MEN1KMT2AKDM4CNPC1
SCHEMBL12126603 0.84 MEN1 (0.55) DGAT1MEN1KMT2AKDM4CNPC1
SCHEMBL15904080 0.83 MEN1 (0.56) DGAT1MEN1KMT2AKDM4CNPC1
SCHEMBL13642329 0.82 MEN1 (0.40) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL18302270 0.81 KDM4C (0.42) DGAT1MEN1KMT2AKDM4CNPC1
SCHEMBL15904976 0.81 MEN1 (0.53) DGAT1MEN1KMT2AKDM4CNPC1
SCHEMBL30776632 0.80 LPL (0.53) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2146505 0.80 MEN1 (0.39) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL578792 0.79 MEN1 (0.50) DGAT1MEN1KMT2AKDM4CNPC1
SCHEMBL17313842 0.77 MEN1 (0.52) DGAT1MEN1KMT2AKDM4CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220047595-A1 1-ISOPROPYL-3-METHYL-8-(PYRIDIN-3-YL)-1,3-DIHYDRO-2H-IMIDAZO[4,5-c]CINNOLIN-2-ONE AS SELECTIVE MODULATORS OF ATAXIA TELANGIECTASIA MUTATED (ATM) KINASE AND USES THEREOF SUZHOU ZANRONG PHARMA LIMITED (CN) 2022-02-17 US disclosed
WO-2020052688-A1 1-ISOPROPYL-3-METHYL-8- (PYRIDIN-3-YL) -1, 3-DIHYDRO-2H-IMIDAZO [4, 5-c] CINNOLIN-2-ONE AS SELECTIVE MODULATORS OF ATAXIA TELANGIECTASIA MUTATED (ATM) KINASE AND USES THEREOF SUZHOU ZANRONG PHARMA LIMITED (CN) 2020-03-19 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-20220047595-A1 1-ISOPROPYL-3-METHYL-8-(PYRIDIN-3-YL)-1,3-DIHYDRO-2H-IMIDAZO[4,5-c]CINNOLIN-2-ONE AS SELECTIVE MODULATORS OF ATAXIA TELANGIECTASIA MUTATED (ATM) KINASE AND USES THEREOF ATM, CHEK2, CHEK1 DGAT1 3670/4885MEN1 820/4885KMT2A 1970/4885

“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.