SCHEMBL2297288

SCHEMBL2297288

CCOC(=O)c1ccc(N2CC3=C(CN(C(=O)O)C3)C2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.58
HRH3 Q9Y5N1 1/20 0.51
OGA O60502 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SGPL1 O95470 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIK3CA P42336 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL8085019 0.86 P2RY12 (0.50) P2RY12HRH3OGAKMT2AMEN1
SCHEMBL2428493 0.86 P2RY12 (0.72) P2RY12HRH3OGAKMT2AMEN1
SCHEMBL2296786 0.85 P2RY12 (0.53) P2RY12HRH3OGAKMT2AMEN1
SCHEMBL3402804 0.83 P2RY12 (0.47) P2RY12HRH3OGAKMT2AMEN1
SCHEMBL2295686 0.80 SCD (0.51) P2RY12HRH3LMNAHPGDSMN1; SMN2
SCHEMBL2820792 0.80 P2RY12 (0.64) P2RY12HRH3OGAKMT2AMEN1
SCHEMBL7469230 0.79 P2RY12 (0.63) P2RY12HRH3OGAKMT2AMEN1
SCHEMBL9210857 0.78 P2RY12 (0.65) P2RY12HRH3OGAKMT2AMEN1
SCHEMBL6584014 0.78 KMT2A (0.75) P2RY12HRH3OGAKMT2AMEN1
SCHEMBL386639 0.77 P2RY12 (0.60) P2RY12HRH3OGAKMT2AMEN1

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 P2RY12 3542/4885HRH3 4369/4885OGA 4471/4885
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SCD, SCD5, PYCR1 P2RY12 3064/4885HRH3 4344/4885OGA 4367/4885

“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.