SCHEMBL537249

SCHEMBL537249

O=c1[nH]cccc1-c1[nH]c2ccccc2c1C1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.45
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
HTR2B P41595 2/20 0.43
CHRM1 P11229 1/20 0.43
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 2/20 0.41
HTR2C P28335 3/20 0.40
KCNH2 Q12809 2/20 0.40
DRD2 P14416 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL537317 0.80 HTR2A (0.68) HTR2AHTR2CKCNH2DRD2
SCHEMBL13172552 0.80 HTR2A (0.46) HTR2AHTR2CKCNH2DRD2
SCHEMBL13134073 0.79 HTR2A (0.45) HTR2AHTR2BKMT2AHTR2CKCNH2
SCHEMBL537401 0.78 TLR8 (0.47) HTR2ATLR8TLR7HTR2BPARP1
SCHEMBL537460 0.78 HTR2A (0.60) HTR2ATLR8TLR7PARP1ALDH1A1
SCHEMBL20016363 0.74 GAA (0.49) HTR2ATLR8TLR7HTR2BALDH1A1
SCHEMBL2817646 0.74 OPRM1 (0.55) HTR2AKMT2AHTR2CKCNH2DRD2
SCHEMBL18324682 0.73 KMT2A (0.45) HTR2ATLR8TLR7HTR2BALDH1A1
SCHEMBL18324710 0.71 KDM4E (0.57) HTR2AALDH1A1KMT2AHTR2CKDM4E
SCHEMBL18324684 0.71 TP53 (0.53) ALDH1A1KMT2AGAA

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 HTR2A 177/4885TLR8 3823/4885TLR7 2976/4885

“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.