SCHEMBL14822767

SCHEMBL14822767

Cn1nc(C(F)(F)F)nc1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 6/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
BLM P54132 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
APAF1 O14727 1/20 0.44
KDM4A O75164 1/20 0.44
TDP2 O95551 1/20 0.44
EGFR P00533 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL18944283 0.85 KDM4E (0.45) PTGS2SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL27129683 0.80 KDM4E (0.48) SMN1; SMN2ALDH1A1KDM4ENPC1LMNA
SCHEMBL1682127 0.78 FLT3 (0.45) PTGS2GABRA1GABRG2GABRB3GABRA3
SCHEMBL10983833 0.77 KDM4E (0.53) SMN1; SMN2ALDH1A1KDM4ENPC1LMNA
SCHEMBL14822776 0.76 PTGS2 (0.54) PTGS2GABRA1GABRG2GABRB3GABRA3
SCHEMBL11622217 0.76 PTGS2 (0.57) PTGS2GABRA1GABRG2GABRB3GABRA3
SCHEMBL14822769 0.76 PTGS2 (0.35) PTGS2HTTMDM2CCR1CCR5
SCHEMBL28535188 0.75 L3MBTL1 (0.38) PTGS2GABRA1GABRG2GABRB3GABRA3
SCHEMBL11591603 0.74 NPC1 (0.67) SMN1; SMN2ALDH1A1KDM4ENPC1LMNA
SCHEMBL12776157 0.74 NPC1 (0.46) SMN1; SMN2ALDH1A1KDM4ENPC1LMNA

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-20170162804-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-06-08 US disclosed
US-8410269-B2 Phosphorescent iridium complex with non-conjugated cyclometalated ligands, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2013-04-02 US disclosed
US-20110313161-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-22 US disclosed
US-20110313162-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-22 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 (3 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-20170162804-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME METTL3, MEN1, L1CAM PTGS2 4124/4885GABRA1 3210/4885GABRG2 3657/4885
US-20110313161-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF LIG3, LIG4, LIG1 PTGS2 2630/4885GABRA1 2372/4885GABRG2 2163/4885
US-20110313162-A1 PHOSPHORESCENT IRIDIUM COMPLEX WITH NON-CONJUGATED CYCLOMETALATED LIGANDS, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF LIG3, LIG4, LIG1 PTGS2 2630/4885GABRA1 2372/4885GABRG2 2163/4885

“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.