SCHEMBL20411754

SCHEMBL20411754

Cc1cc(-c2nc(-c3ccc(F)cc3F)nc3ccccc23)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
GLA P06280 1/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
GBA1 P04062 2/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
SRC P12931 1/20 0.37
EIF2AK2 P19525 1/20 0.37
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL20414970 0.84 USP1 (0.38) NTRK1AURKAAURKBMAPTMEN1
SCHEMBL786507 0.80 MAPT (0.48) NTRK1AURKAAURKBMAPTMEN1
SCHEMBL802007 0.75 AURKA (0.69) NTRK1AURKAAURKBGSK3AGSK3B
SCHEMBL20411749 0.74 ABCG2 (0.46) NTRK1AURKAAURKBMEN1KMT2A
SCHEMBL8817528 0.74 TGFBR1 (0.48) GLA
SCHEMBL802193 0.74 GSK3B (0.69) NTRK1AURKAAURKBMAPTMEN1
SCHEMBL20411752 0.73 TP53 (0.49) AURKAAURKBMAPTMEN1KMT2A
SCHEMBL20411748 0.72 ABCC8 (0.34) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL14529444 0.72 ACHE (0.49) MAPTMEN1KMT2AGBA1POLB
SCHEMBL863315 0.71 ALPL (0.41) MAPTMEN1KMT2AMAPK1LMNA

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-20180212161-A1 IRIDIUM COMPLEX AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2018-07-26 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-20180212161-A1 IRIDIUM COMPLEX AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME OCIAD1, OGFOD1, OGDH NTRK1 4528/4885AURKA 2509/4885AURKB 1385/4885

“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.