SCHEMBL3299142

SCHEMBL3299142

CNc1ccc(-c2cc3cc(O)ccc3[nH]2)cn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 10/20 0.56
CDK5R1 Q15078 10/20 0.56
APP P05067 3/20 0.51
TDO2 P48775 1/20 0.43
MELK Q14680 1/20 0.42
RIPK1 Q13546 3/20 0.41
MAP2K7 O14733 1/20 0.41
MAPT P10636 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
SCHEMBL1422651 0.85 SMN1; SMN2 (0.48) CDK5CDK5R1APPTDO2MAPT
SCHEMBL1421592 0.85 TDO2 (0.53) APPTDO2MAPT
SCHEMBL1420994 0.84 CYP19A1 (0.52) CDK5CDK5R1APPTDO2MAPT
SCHEMBL13577803 0.84 MAPT (0.44) CDK5CDK5R1APPTDO2RIPK1
SCHEMBL1483699 0.82 KDM4E (0.57) APPRIPK1MAPT
SCHEMBL1421172 0.81 CYP19A1 (0.58) CDK5CDK5R1RIPK1MAPT
SCHEMBL1484054 0.79 CDK5 (0.59) CDK5CDK5R1RIPK1
SCHEMBL1484223 0.77 ITK (0.48) APPTDO2MAPT
SCHEMBL1420991 0.76 MAPT (0.43) APPTDO2MAPT
SCHEMBL13577807 0.76 MAPT (0.41) CDK5CDK5R1APPTDO2RIPK1

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
CN-101636395-A Novel 2-heteroaryl substituted indoles 695 ASTRAZENECA AB 2010-01-27 CN claimed
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
CN-101636395-A Novel 2-heteroaryl substituted indoles 695 ASTRAZENECA AB 2010-01-27 CN 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 CDK5 292/4885CDK5R1 788/4885APP 1/4885

“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.