SCHEMBL17308185

SCHEMBL17308185

Cc1cccc(CN2CCNC2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 1/20 0.51
CHRM3 P20309 1/20 0.51
HTT P42858 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
ADRB1 P08588 1/20 0.47
LMNA P02545 1/20 0.46
FAAH O00519 1/20 0.46

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
SCHEMBL593734 0.92 SIGMAR1 (0.62) MEN1POLBKMT2ASIGMAR1ALDH1A1
SCHEMBL29756483 0.92 SIGMAR1 (0.62) MEN1POLBKMT2ASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL2923966 0.90 SIGMAR1 (0.61) MEN1POLBKMT2ASIGMAR1ALDH1A1
SCHEMBL28849168 0.86 CXCR4 (0.64) MEN1POLBKMT2ASIGMAR1ALDH1A1
SCHEMBL29863040 0.86 CXCR4 (0.64) MEN1POLBKMT2ASIGMAR1ALDH1A1
SCHEMBL10892692 0.86 HRH3 (0.65) MEN1POLBKMT2ASIGMAR1HRH3
SCHEMBL29168432 0.81 LMNA (0.71) MEN1POLBKMT2ASIGMAR1ALDH1A1
SCHEMBL17308221 0.81 CXCR4 (0.66) MEN1POLBKMT2ASIGMAR1ALDH1A1
SCHEMBL26789 0.80 SIGMAR1 (0.78) MEN1KMT2ASIGMAR1ALDH1A1HRH3
SCHEMBL21009691 0.80 MEN1 (0.65) MEN1POLBKMT2AALDH1A1KDM4E

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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS MEN1 3091/4885POLB 1295/4885KMT2A 1865/4885

“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.