SCHEMBL536729

SCHEMBL536729

COc1ncccc1-c1c(-c2ccccc2)c2cc(C(=O)NCCCN3CCOCC3)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
PIK3CA P42336 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ACKR3 P25106 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL537356 0.90 CYP2C9 (0.47) KMT2ACYP2D6CYP2C9MEN1HPGD
SCHEMBL13145231 0.82 CYP2C9 (0.51) KMT2ACYP2D6CYP2C9MEN1HPGD
SCHEMBL537416 0.73 CYP2D6 (0.52) KMT2ACYP2D6CYP2C9MEN1HPGD
SCHEMBL537286 0.72 CYP2C9 (0.54) KMT2ACYP2D6CYP2C9MEN1HPGD
SCHEMBL12833903 0.69 CDK4 (0.47) KMT2ACYP2D6CYP2C9MEN1HPGD
SCHEMBL8150783 0.67 CD274 (0.85) HPGDTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL12833435 0.66 CDK4 (0.47) KMT2ACYP2D6CYP2C9MEN1HPGD
SCHEMBL26307601 0.66 CYP2C9 (1.00) KMT2ACYP2D6CYP2C9MEN1HPGD
SCHEMBL1382764 0.65 SMN1; SMN2 (0.95) HPGDTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL13380210 0.65 SMN1; SMN2 (0.65) CYP2D6CYP2C9TSHRSMN1; SMN2KDM4E

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 KMT2A 2288/4885CYP2D6 359/4885CYP2C9 1143/4885

“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.