SCHEMBL537439

SCHEMBL537439

COc1ncccc1-c1[nH]c2ccccc2c1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.62
DRD2 P14416 2/20 0.49
HTR2C P28335 2/20 0.49
KCNH2 Q12809 2/20 0.49
TLR9 Q9NR96 4/20 0.45
TLR7 Q9NYK1 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
TLR8 Q9NR97 3/20 0.44
OPRM1 P35372 1/20 0.43
ACHE P22303 1/20 0.42
CARM1 Q86X55 2/20 0.42
CHRM4 P08173 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
SCHEMBL13172817 0.82 HTR2A (0.44) HTR2ADRD2HTR2CKCNH2TLR9
SCHEMBL537396 0.81 HTR2A (0.54) HTR2AHTR2CKCNH2TLR9TLR7
SCHEMBL537401 0.81 TLR8 (0.47) HTR2ATLR9TLR7MEN1KMT2A
SCHEMBL7955758 0.77 HTR2A (1.00) HTR2ADRD2HTR2CKCNH2TLR9
SCHEMBL537317 0.76 HTR2A (0.68) HTR2ADRD2HTR2CKCNH2OPRM1
SCHEMBL2814855 0.76 DRD2 (0.50) HTR2ADRD2CCNT1CDK9OPRM1
SCHEMBL7948414 0.69 HTR2A (0.73) HTR2ADRD2HTR2CKCNH2ACHE
SCHEMBL13134080 0.69 NPC1 (0.34) HTR2AHTR2CMEN1KMT2ACCNT1
SCHEMBL5423608 0.67 TLR9 (0.49) HTR2ATLR9TLR7MEN1KMT2A
SCHEMBL4110851 0.67 SCN9A (0.59) DRD2KCNH2ACHE

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 177/4885DRD2 1882/4885HTR2C 113/4885

“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.