SCHEMBL537396

SCHEMBL537396

COc1ncccc1-c1[nH]c2ccccc2c1C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.54
HTR2C P28335 2/20 0.54
KCNH2 Q12809 2/20 0.54
CARM1 Q86X55 1/20 0.51
HTR1A P08908 7/20 0.48
SLC6A2 P23975 7/20 0.48
SLC6A4 P31645 7/20 0.48
SLC6A3 Q01959 5/20 0.48
TLR9 Q9NR96 5/20 0.43
TLR8 Q9NR97 5/20 0.43
TLR7 Q9NYK1 5/20 0.43
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2 Q05397 1/20 0.42
HTR6 P50406 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
SCHEMBL13172817 0.81 HTR2A (0.44) HTR2AHTR2CKCNH2CARM1TLR9
SCHEMBL537439 0.81 HTR2A (0.62) HTR2AHTR2CKCNH2CARM1TLR9
SCHEMBL537401 0.80 TLR8 (0.47) HTR2ATLR9TLR8TLR7
SCHEMBL8316644 0.72 HTR2C (0.69) HTR2AHTR2CKCNH2HTR1ATLR9
SCHEMBL537460 0.72 HTR2A (0.60) HTR2AHTR2CKCNH2TLR9TLR8
SCHEMBL7962369 0.71 HTR2A (1.00) HTR2AHTR2CKCNH2
SCHEMBL7495157 0.71 HTR1A (0.74) HTR2CCARM1HTR1ASLC6A2SLC6A4
SCHEMBL31060925 0.71 HTR2A (1.00) HTR2AHTR2CKCNH2
Hydrochloric Acid SCHEMBL16992256 0.70 HTR1A (0.72) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL22588189 0.67 HTR2A (0.65) HTR2AHTR2CKCNH2SLC6A4TLR9

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 177/4885HTR2C 113/4885KCNH2 2836/4885

“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.