SCHEMBL4045284

SCHEMBL4045284

COc1ccc2c(c1)cc1n2CCNC1=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.63
CYP2D6 P10635 1/20 0.63
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 2/20 0.52
POLB P06746 2/20 0.52
PARP1 P09874 1/20 0.52
RPS6KA2 Q15349 3/20 0.50
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL2981547 0.81 HRH3 (0.74) HRH3CYP2D6HTR2AHTR2CPARP1
SCHEMBL2969526 0.80 HRH3 (0.74) HRH3CYP2D6
SCHEMBL38652638 0.78 HRH3 (0.52) HRH3CYP2D6ALDH1A1PARP1RPS6KA2
SCHEMBL2980522 0.78 HRH3 (0.52) HRH3CYP2D6ALDH1A1PARP1RPS6KA2
SCHEMBL2160684 0.78 HRH3 (0.54) HRH3CYP2D6ALDH1A1PARP1RPS6KA2
SCHEMBL9264795 0.78 KDM4E (0.56) HRH3CYP2D6HTR2AHTR2CKDM4E
SCHEMBL38652559 0.78 HRH3 (0.52) HRH3CYP2D6ALDH1A1PARP1RPS6KA2
SCHEMBL19187485 0.78 HRH3 (0.52) HRH3CYP2D6ALDH1A1PARP1RPS6KA2
SCHEMBL2980042 0.78 HRH3 (1.00) HRH3CYP2D6
SCHEMBL15563287 0.77 PARP1 (0.51) HRH3CYP2D6PARP1RPS6KA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A HRH3 2378/4885CYP2D6 1684/4885HTR2A 780/4885

“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.