SCHEMBL537286

SCHEMBL537286

COc1ncccc1-c1cc2cc(C(=O)NCCCN3CCOCC3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.54
CYP2D6 P10635 2/20 0.54
SYK P43405 1/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
NAMPT P43490 1/20 0.47
MET P08581 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 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
SCHEMBL537416 0.83 CYP2D6 (0.52) CYP2C9CYP2D6ALDH1A1SMN1; SMN2MEN1
SCHEMBL12833903 0.81 CDK4 (0.47) CYP2C9CYP2D6ALDH1A1SMN1; SMN2MEN1
SCHEMBL2815473 0.81 ALDH1A1 (0.50) CYP2C9CYP2D6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5754456 0.79 CYP2D6 (0.53) CYP2C9CYP2D6SYKALDH1A1KDM4E
SCHEMBL12833435 0.78 CDK4 (0.47) CYP2C9CYP2D6MEN1KMT2AHPGD
SCHEMBL5653271 0.77 CYP2D6 (0.61) CYP2C9CYP2D6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13145231 0.76 CYP2C9 (0.51) CYP2C9CYP2D6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12834188 0.76 CDK4 (0.52) CYP2C9CYP2D6ALDH1A1KDM4EMAPT
SCHEMBL537370 0.76 ALOX15 (0.51) ALDH1A1HPGD
SCHEMBL5957538 0.75 KDM4E (0.53) CYP2C9CYP2D6ALDH1A1KDM4ESMN1; SMN2

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 CYP2C9 1143/4885CYP2D6 359/4885SYK 2716/4885

“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.