SCHEMBL2290239

SCHEMBL2290239

O=C(NC1CC1)c1cnc(N2CC3=C(CNC3)C2)s1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.41
HDAC3 O15379 5/20 0.41
HDAC4 P56524 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC7 Q8WUI4 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC9 Q9UKV0 5/20 0.41
HDAC5 Q9UQL6 5/20 0.41
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
TMPRSS15 P98073 1/20 0.39
ABCC2 Q92887 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ACKR3 P25106 1/20 0.35

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
SCHEMBL2290030 0.82 HDAC3 (0.46) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2290893 0.78 NAMPT (0.53) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2297912 0.74 NAMPT (0.58) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2297207 0.72 OGA (0.48) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1403718 0.70 HPGD (0.51) MAPK11MAPK14NPC1RAB9A
SCHEMBL6907136 0.69 MAPK11 (0.49) MAPK11MAPK14NPC1RAB9A
SCHEMBL7264799 0.69 RAB9A (0.45) MAPK11MAPK14NPC1RAB9A
SCHEMBL12615187 0.69 F10 (0.47) MAPK11MAPK14NPC1RAB9A
SCHEMBL21066423 0.66 LCK (0.49) MAPK11MAPK14NPC1RAB9A
SCHEMBL25408095 0.66 TMPRSS15 (0.66) HDAC2HDAC3HDAC4HDAC1HDAC7

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
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-8003677-B2 2-heteroaryl-pyrrolo[3,4-c]pyrrole derivatives and their use as SCD inhibitors SANOFI-AVENTIS (FR) 2011-08-23 US disclosed
US-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-06-10 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 (2 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-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SCD, SCD5, PYCR1 HDAC2 4010/4885HDAC3 3488/4885HDAC4 4531/4885
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SCD, SCD5, PYCR1 HDAC2 4090/4885HDAC3 3350/4885HDAC4 4541/4885

“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.