SCHEMBL2302267

SCHEMBL2302267

CCOC(=O)/C=C(\c1cccnc1)c1ccc2cc[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.52
▸ CDK8 P49336 2/20 0.52
▸ CDK19 Q9BWU1 1/20 0.52
▸ TBXAS1 P24557 5/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ GHSR Q92847 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP13 P45452 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
SCHEMBL2302268 1.00 CCNC (0.52) CCNCCDK8CDK19TBXAS1TAS1R3
SCHEMBL2306193 0.86 MEN1 (0.45) TBXAS1ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL2306189 0.86 MEN1 (0.45) TBXAS1ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL2301634 0.81 CTNNB1 (0.47) CCNCCDK8CDK19TAS1R3TAS1R1
SCHEMBL2301636 0.81 CTNNB1 (0.47) CCNCCDK8CDK19TAS1R3TAS1R1
SCHEMBL8775833 0.79 TBXAS1 (0.61) TBXAS1
SCHEMBL8775796 0.79 TBXAS1 (0.61) TBXAS1
SCHEMBL12427665 0.78 TBXAS1 (0.42) TBXAS1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL2302938 0.78 TBXAS1 (0.42) TBXAS1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL6830998 0.78 TBXAS1 (0.47) TBXAS1ALDH1A1KDM4EHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 — — EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 — — US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 — — US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 — — US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 — — US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 — — US disclosed
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 — — EP disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — WO disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 — — US disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 — — US disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 — — 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 (2 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR CCNC 224/4885CDK8 185/4885CDK19 783/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR CCNC 224/4885CDK8 185/4885CDK19 783/4885

“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.

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