SCHEMBL4329685

SCHEMBL4329685

CN(C)CCn1ccc2c(C#N)cccc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.62
HTR2A P28223 3/20 0.53
HTR6 P50406 6/20 0.46
PRMT5 O14744 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
KDM1A O60341 1/20 0.41
HTR1D P28221 1/20 0.41
IMPDH2 P12268 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL27844923 0.81 MAPT (0.44) HTR2CPRMT5ALDH1A1SMN1; SMN2MAPT
SCHEMBL20656048 0.80 NR3C1 (0.47) PRMT5ALDH1A1SMN1; SMN2MAPTNR3C1
SCHEMBL23956102 0.77 HTR2C (0.68) HTR2CHTR2AHTR6HTR1D
SCHEMBL337413 0.77 HTR2C (0.68) HTR2CHTR2AHTR6HTR1D
SCHEMBL847974 0.77 HTR2C (0.68) HTR2CHTR2AHTR6HTR1D
SCHEMBL23927902 0.75 HTR2C (0.64) HTR2CHTR2AHTR6PRMT5ALDH1A1
SCHEMBL506644 0.74 IMPDH2 (0.59) HTR6PRMT5ALDH1A1SMN1; SMN2MAPT
SCHEMBL16234643 0.73 STAT3 (0.50) PRMT5ALDH1A1SMN1; SMN2MAPTNR3C1
SCHEMBL418623 0.73 STAT3 (0.50) PRMT5ALDH1A1SMN1; SMN2MAPTNR3C1
SCHEMBL4327390 0.73 PRMT5 (0.48) PRMT5ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 HTR2C 413/4885HTR2A 768/4885HTR6 581/4885

“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.