SCHEMBL3305065

SCHEMBL3305065

CNc1ccc(-c2cc3cc(F)ccc3n2C(=O)OC(C)(C)C)cn1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.53
NR1H3 Q13133 5/20 0.47
TTK P33981 3/20 0.45

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
SCHEMBL3301415 0.88 NR1H2 (0.53) NR1H2NR1H3TTK
SCHEMBL4565949 0.85 TDO2 (0.44) NR1H2
SCHEMBL4437497 0.83 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL1605666 0.81 NR1H2 (0.52) NR1H2NR1H3TTK
SCHEMBL17220684 0.80 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL31195852 0.79 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL2934148 0.78 NR1H2 (0.49) NR1H2NR1H3TTK
SCHEMBL14057887 0.75 NR1H2 (0.45) NR1H2NR1H3TTK
SCHEMBL21841775 0.75 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL4725709 0.75 NR1H2 (0.52) NR1H2NR1H3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 ASTRAZENECA AB (SE) 2010-04-22 US disclosed
EP-2121655-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008108729-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 ASTRAZENECA AB (SE) 2008-09-12 WO disclosed
WO-2008108729-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 ASTRAZENECA AB (SE) 2008-09-12 WO 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-20100098631-A1 Novel-2-Heteroaryl Substituted Indoles 695 APP, IDO2, IDO1 NR1H2 1715/4885NR1H3 1610/4885TTK 2834/4885

“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.