SCHEMBL1684654

SCHEMBL1684654

Cc1nc2ccccn2c1-c1csc(Nc2cccc(O)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 1.00
APBA1 Q02410 1/20 1.00
KLF5 Q13887 1/20 1.00
KDM4E B2RXH2 6/20 0.82
MAPT P10636 6/20 0.82
ALDH1A1 P00352 4/20 0.82
LMNA P02545 4/20 0.82
HTT P42858 4/20 0.82
GAA P10253 4/20 0.82
SMN1; SMN2 Q16637 3/20 0.82
NPSR1 Q6W5P4 2/20 0.82
NR2F2 P24468 1/20 0.82
PRKD3 O94806 1/20 0.78
MAP4K4 O95819 1/20 0.78
PIM1 P11309 1/20 0.78
RPS6KB1 P23443 1/20 0.78
CDK2 P24941 1/20 0.78
FLT4 P35916 1/20 0.78
FLT3 P36888 1/20 0.78
MAPK8 P45983 1/20 0.78

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
Bromide SCHEMBL18040712 0.99 CACNA1B (0.98) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL29520697 0.90 MAPT (1.00) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL1684587 0.88 CACNA1B (0.79) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL1684637 0.88 PRKD3 (1.00) CACNA1BAPBA1KLF5KDM4EMAPT
Bromide SCHEMBL18040686 0.88 CACNA1B (0.78) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL1684910 0.87 PRKD3 (0.78) CACNA1BAPBA1KLF5KDM4EMAPT
Bromide SCHEMBL18040695 0.87 PRKD3 (0.98) CACNA1BAPBA1KLF5KDM4EMAPT
Bromide SCHEMBL18040767 0.86 PRKD3 (0.77) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL12789774 0.86 MAPT (0.76) CACNA1BAPBA1KLF5KDM4EMAPT
SCHEMBL1684729 0.85 MAPT (0.79) CACNA1BAPBA1KLF5KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306836-B1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2016-09-07 EP claimed
US-8680113-B2 BMI-1 protein expression modulators PTC THERAPEUTICS, INC. (US) 2014-03-25 US claimed
US-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2011-08-04 US claimed
EP-2306836-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2011-04-13 EP claimed
WO-2010002985-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2010-01-07 WO claimed
EP-3111956-B1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2019-05-08 EP disclosed
EP-3111956-A1 BMI 1 PROTEIN EXPRESSION MODULATORS PTC Therapeutics, Inc. (US) 2017-01-04 EP disclosed
EP-2306836-B1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS INC (US) 2016-09-07 EP disclosed
US-8680113-B2 BMI-1 protein expression modulators PTC THERAPEUTICS, INC. (US) 2014-03-25 US disclosed
US-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS PTC THERAPEUTICS, INC. (US) 2011-08-04 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-20110190239-A1 BMI-1 PROTEIN EXPRESSION MODULATORS BMI1, CREBBP, BAZ2A CACNA1B 4376/4885APBA1 1960/4885KLF5 689/4885

“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.