SCHEMBL17014643

SCHEMBL17014643

Cc1ccncc1N1c2ncccc2N(C)[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2A6 P11509 1/20 0.33
CHRM1 P11229 1/20 0.33
PDE9A O76083 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
ADORA3 P0DMS8 3/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE3A Q14432 1/20 0.32
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL18073506 0.90 CYP17A1 (0.34) CYP17A1CYP1A2CYP2A6CHRM1PDE9A
SCHEMBL17014639 0.89 CYP2A6 (0.33) CYP17A1CYP1A2CYP2A6ALDH1A1GAA
SCHEMBL24444108 0.87 KDM4E (0.38) CYP2A6ALDH1A1GAAKDM4EHPGD
SCHEMBL16726495 0.87 KDM4E (0.38) CYP2A6ALDH1A1GAAKDM4EHPGD
SCHEMBL11995100 0.87 KDM4E (0.38) CYP2A6ALDH1A1GAAKDM4EHPGD
SCHEMBL17014638 0.83 ALDH1A1 (0.33) CYP1A2ALDH1A1GAAKDM4EHPGD
SCHEMBL17169564 0.82 FLT3 (0.37) CYP17A1CYP1A2ALDH1A1GAAKDM4E
SCHEMBL17014632 0.82 FLT3 (0.37) CYP17A1CYP1A2ALDH1A1GAAKDM4E
SCHEMBL16420345 0.82 GAA (0.40) ALDH1A1GAAKDM4EHPGDALOX12
SCHEMBL12092099 0.81 GAA (0.40) ALDH1A1GAAKDM4EHPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9847497-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-12-19 US disclosed
US-9847497-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-12-19 US disclosed
US-20150236279-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-20 US disclosed
US-20150236279-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-20 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-20150236279-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, ZYX, LOXL1 CYP17A1 2578/4885CYP1A2 1711/4885CYP2A6 2680/4885

“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.