SCHEMBL17149986

SCHEMBL17149986

C=Cc1cccnc1-c1nc(C)ccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.37
LMNA P02545 1/20 0.34
METAP2 P50579 1/20 0.34
TGFBR1 P36897 3/20 0.33
GRM5 P41594 1/20 0.33
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
SMO Q99835 1/20 0.30
CCR1 P32246 1/20 0.30
CCR8 P51685 1/20 0.30
PSMD14 O00487 1/20 0.30
COPS5 Q92905 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12508229 0.84 CYP2A6 (0.46) CYP2A6METAP2TGFBR1ALDH1A1NOS3
SCHEMBL24179779 0.80 ALDH1A1 (0.41) CYP2A6LMNAALDH1A1CCR1CCR8
SCHEMBL4159050 0.75 CYP2A6 (0.43) CYP2A6LMNAMETAP2TGFBR1ALDH1A1
SCHEMBL29000603 0.73 CYP2A6 (0.39) CYP2A6METAP2ALDH1A1NOS3NOS1
SCHEMBL17696988 0.73 CYP2A6 (0.42) CYP2A6METAP2ALDH1A1NOS3NOS1
SCHEMBL13825779 0.72 CCR1 (0.48) LMNAMETAP2ALDH1A1NOS3NOS1
SCHEMBL21181231 0.71 LMNA (0.37) CYP2A6LMNATGFBR1CCR1CCR8
SCHEMBL935465 0.69
SCHEMBL2039645 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29324517 0.69 KDM4E (0.42) ALDH1A1KDM4E

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-20150285814-A1 PHOSPHORESCENT DYE AND PHOSPHORESCENCE IMMUNOASSAY BY PEPTIDE DISPLACEMENT UNIVERSITÄT LEIPZIG (DE) 2015-10-08 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-20150285814-A1 PHOSPHORESCENT DYE AND PHOSPHORESCENCE IMMUNOASSAY BY PEPTIDE DISPLACEMENT NPPA, DNPEP, PTMS CYP2A6 3515/4885LMNA 3592/4885METAP2 285/4885

“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.