SCHEMBL2292258

SCHEMBL2292258

CN(C)CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.53
TOP2A P11388 2/20 0.49
HTR6 P50406 2/20 0.48
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
RCE1 Q9Y256 1/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP1A2 P05177 1/20 0.42
FABP4 P15090 1/20 0.41
TERT O14746 1/20 0.41
HPGD P15428 1/20 0.41
CHEK1 O14757 1/20 0.41
SRC P12931 1/20 0.41
WEE1 P30291 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL11556199 0.81 TOP2A (0.46) HTR3ATOP2AHTR6KDM4EPOLB
SCHEMBL6562979 0.80 ALDH1A1 (0.62) HTR3AKDM4EGAARCE1POLB
SCHEMBL11826363 0.78 CYP2D6 (0.59) TOP2AHTR6KDM4EPOLBALDH1A1
SCHEMBL11451983 0.77 HTR3A (0.86) HTR3ATOP2AHTR6KDM4EGAA
SCHEMBL11563042 0.77 HTR3A (0.57) HTR3ATOP2AHTR6KDM4EPOLB
SCHEMBL11556738 0.74 HTR3A (0.52) HTR3ATOP2AHTR6KDM4EPOLB
SCHEMBL11561246 0.73 HTR3A (0.51) HTR3ATOP2AHTR6KDM4EPOLB
SCHEMBL11556407 0.73 HTR3A (0.51) HTR3ATOP2AHTR6KDM4EPOLB
SCHEMBL822744 0.73 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AATM
SCHEMBL10704467 0.72 ALDH1A1 (0.59) TOP2AHTR6KDM4EPOLBALDH1A1

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-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US claimed

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-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET HTR3A 538/4885TOP2A 1032/4885HTR6 1206/4885

“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.