SCHEMBL537416

SCHEMBL537416

COc1ncccc1-c1[nH]c2ccc(C(=O)NCCCN3CCOCC3)cc2c1Br

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 2/20 0.48
TLR9 Q9NR96 2/20 0.47
TLR8 Q9NR97 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
PARP1 P09874 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47
RAD52 P43351 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL537286 0.83 CYP2C9 (0.54) CYP2D6CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL13145231 0.82 CYP2C9 (0.51) CYP2D6CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL2811823 0.82 PARP1 (0.53) CYP2D6CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL537356 0.79 CYP2C9 (0.47) CYP2D6CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL12833903 0.78 CDK4 (0.47) CYP2D6CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL12833435 0.75 CDK4 (0.47) CYP2D6CYP2C9KMT2AMEN1TSHR
SCHEMBL536729 0.73 KMT2A (0.47) CYP2D6CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL5653271 0.73 CYP2D6 (0.61) CYP2D6CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL2813808 0.73 CYP2C9 (0.49) CYP2D6CYP2C9KMT2AMEN1ALDH1A1
SCHEMBL12834188 0.73 CDK4 (0.52) CYP2D6CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
EP-2414344-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
WO-2010114896-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
WO-2010114896-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE 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-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS MKI67, CCNI, CDK4 CYP2D6 359/4885CYP2C9 1143/4885KMT2A 2288/4885

“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.