SCHEMBL2814855

SCHEMBL2814855

COc1ncccc1-c1[nH]c2ccccc2c1C1=CCN(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.50
HTR1A P08908 11/20 0.50
HTR2A P28223 4/20 0.50
HTT P42858 1/20 0.50
HTR6 P50406 1/20 0.49
DRD3 P35462 4/20 0.47
DRD4 P21917 4/20 0.47
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
DRD1 P21728 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
SCHEMBL13134080 0.78 NPC1 (0.34) HTR2AHTTHTR6CCNT1CDK9
SCHEMBL11637132 0.77 HTR6 (0.78) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL537439 0.76 HTR2A (0.62) DRD2HTR2ACCNT1CDK9OPRM1
Hydrochloric Acid SCHEMBL11639446 0.76 HTR6 (0.76) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL11782822 0.70 HTR6 (0.67) DRD2HTR1AHTR2AHTR6
SCHEMBL11785343 0.70 DRD2 (0.62) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL7884097 0.69 MEN1 (0.55) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL2396688 0.69 HTR1A (0.57) DRD2HTR1AHTR2AHTTCCNT1
SCHEMBL2708167 0.69 DRD4 (0.55) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL7543848 0.68 HTR1A (1.00) DRD2HTR1AHTR2AHTTHTR6

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 8 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
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 DRD2 1882/4885HTR1A 103/4885HTR2A 177/4885

“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.