SCHEMBL31748624

SCHEMBL31748624

O=Cc1c[nH]c2nc(Cl)c(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.41
KMT2A Q03164 2/20 0.41
PIM3 Q86V86 5/20 0.36
PIM1 P11309 3/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
HASPIN Q8TF76 1/20 0.36
IMPDH2 P12268 1/20 0.35
ERN1 O75460 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
MPI P34949 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL29953165 0.81 CYP2A6 (0.41) CYP2A6KMT2APIM3PIM1CCNT1
SCHEMBL24695937 0.75 AXL (0.30)
SCHEMBL29246467 0.75 AXL (0.30)
SCHEMBL29952970 0.74 KMT2A (0.41) CYP2A6KMT2APIM3CCNT1CDK9
SCHEMBL21596693 0.73
SCHEMBL5263827 0.73 KMT2A (0.54) CYP2A6KMT2APIM3PIM1CCNT1
SCHEMBL15569859 0.72 KMT2A (0.36) CYP2A6KMT2ACCNT1CDK9HASPIN
SCHEMBL1714533 0.71 KMT2A (0.53) CYP2A6KMT2APIM3PIM1CCNT1
SCHEMBL29952450 0.71 KMT2A (0.53) CYP2A6KMT2APIM3PIM1CCNT1
SCHEMBL31748629 0.71 CHUK (0.49) CCNT1CDK9HASPINIMPDH2

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-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF BIOLEXIS THERAPEUTICS INC (US) 2025-12-25 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-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF PRKAB2, PRKAB1, PRKAR2B CYP2A6 4031/4885KMT2A 2539/4885PIM3 1650/4885

“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.