SCHEMBL537460

SCHEMBL537460

O=c1[nH]cccc1-c1[nH]c2ccccc2c1C1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.60
HTR2C P28335 7/20 0.60
KCNH2 Q12809 5/20 0.60
ADRB2 P07550 1/20 0.43
NPC1 O15118 1/20 0.41
GBA1 P04062 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TNKS O95271 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PARP1 P09874 1/20 0.38
GPR3 P46089 1/20 0.38

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
SCHEMBL13172552 0.79 HTR2A (0.46) HTR2AHTR2CKCNH2NPC1GBA1
SCHEMBL537317 0.79 HTR2A (0.68) HTR2AHTR2CKCNH2HSD17B10DRD2
SCHEMBL13134073 0.78 HTR2A (0.45) HTR2AHTR2CKCNH2MEN1LMNA
SCHEMBL537249 0.78 HTR2A (0.45) HTR2AHTR2CKCNH2TLR8TLR7
SCHEMBL31060925 0.76 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2
SCHEMBL7962369 0.76 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2
SCHEMBL2817646 0.76 OPRM1 (0.55) HTR2AHTR2CKCNH2MEN1KMT2A
SCHEMBL8316644 0.74 HTR2C (0.69) HTR2AHTR2CKCNH2ADRB2TLR9
SCHEMBL537396 0.72 HTR2A (0.54) HTR2AHTR2CKCNH2TLR9TLR8
SCHEMBL31285825 0.71 HTR2A (0.65) HTR2AHTR2CKCNH2ADRB2TLR9

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 4 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
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
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.