SCHEMBL2814448

SCHEMBL2814448

COc1ccc(CCN2C(=O)c3cnc4[nH]ncc4c3C2=O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
HTT P42858 4/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 2/20 0.51
TSHR P16473 1/20 0.51
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2816647 0.94 LMNA (0.49) LMNAHTTMAPTPOLBTSHR
SCHEMBL2817148 0.86 GSK3A (0.45) MAPTTSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2815188 0.83 CA1 (0.42) LMNAHTTMAPTTSHRSMN1; SMN2
SCHEMBL2820930 0.81 CYP1A2 (0.46) MAPTSMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL2819102 0.81 GRIN2B (0.41) SMN1; SMN2ALDH1A1
SCHEMBL2819735 0.80 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL540215 0.80 CASP3 (0.47) LMNAMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL2816972 0.79 GRM5 (0.41) LMNAMAPTTSHRSMN1; SMN2NPSR1
SCHEMBL2815674 0.79 NUDT1 (0.42) MAPTSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL2815664 0.78 MEN1 (0.41) LMNATSHRALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906928-B2 Substituted pyrazolo-pyrrolo-pyridine-dione compounds ARQULE, INC. (US) 2014-12-09 US disclosed
US-8906928-B2 Substituted pyrazolo-pyrrolo-pyridine-dione compounds ARQULE, INC. (US) 2014-12-09 US disclosed
US-8906928-B2 Substituted pyrazolo-pyrrolo-pyridine-dione compounds ARQULE, INC. (US) 2014-12-09 US disclosed
US-20100249120-A1 SUBSTITUTED PYRAZOLO-PYRROLO-PYRIDINE-DIONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249120-A1 SUBSTITUTED PYRAZOLO-PYRROLO-PYRIDINE-DIONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249120-A1 SUBSTITUTED PYRAZOLO-PYRROLO-PYRIDINE-DIONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249120-A1 SUBSTITUTED PYRAZOLO-PYRROLO-PYRIDINE-DIONE COMPOUNDS MKI67, TP53, PDK1 LMNA 3626/4885HTT 1356/4885MAPT 2163/4885

“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.