SCHEMBL537356

SCHEMBL537356

COc1ncccc1-c1c(Br)c2cc(C(=O)NCCCN3CCOCC3)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 3/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIK3CA P42336 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NAMPT P43490 1/20 0.42
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL13145231 0.91 CYP2C9 (0.51) CYP2C9CYP2D6KMT2AMEN1HPGD
SCHEMBL536729 0.90 KMT2A (0.47) CYP2C9CYP2D6KMT2AMEN1HPGD
SCHEMBL537416 0.79 CYP2D6 (0.52) CYP2C9CYP2D6KMT2AMEN1HPGD
SCHEMBL537286 0.73 CYP2C9 (0.54) CYP2C9CYP2D6KMT2AMEN1HPGD
SCHEMBL12833903 0.68 CDK4 (0.47) CYP2C9CYP2D6KMT2AMEN1HPGD
SCHEMBL26307601 0.67 CYP2C9 (1.00) CYP2C9CYP2D6KMT2AMEN1HPGD
SCHEMBL12833435 0.66 CDK4 (0.47) CYP2C9CYP2D6KMT2AMEN1HPGD
SCHEMBL5653271 0.65 CYP2D6 (0.61) CYP2C9CYP2D6KMT2AMEN1HPGD
SCHEMBL10379079 0.65 CYP2C9 (0.73) CYP2C9CYP2D6TSHRSMN1; SMN2ALDH1A1
SCHEMBL29818241 0.64 TSHR (0.73) CYP2C9CYP2D6KMT2AMEN1TSHR

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 7 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
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 CYP2C9 1143/4885CYP2D6 359/4885KMT2A 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.