SCHEMBL20174394

SCHEMBL20174394

c1ccc(-c2nc(-c3ccccn3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3oc3ccccc43)n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
TDP1 Q9NUW8 3/20 0.41
SMN1; SMN2 Q16637 8/20 0.40
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 6/20 0.40
TP53 P04637 6/20 0.40
HSD17B10 Q99714 5/20 0.40
MAPT P10636 5/20 0.40
MAPK1 P28482 4/20 0.40
HPGD P15428 3/20 0.40
GRM5 P41594 2/20 0.36
METAP1 P53582 2/20 0.35
RAB9A P51151 7/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
ALOX15 P16050 4/20 0.34
GAA P10253 3/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL20174399 0.85 KDM4E (0.38) KDM4ETDP1SMN1; SMN2ALDH1A1NPC1
SCHEMBL20174320 0.83 MAPT (0.33) KDM4ETDP1SMN1; SMN2ALDH1A1TP53
SCHEMBL20174268 0.82 KDM4E (0.41) KDM4ETDP1SMN1; SMN2ALDH1A1NPC1
SCHEMBL20179306 0.81 RAB9A (0.33) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL20174395 0.80 PLA2G2A (0.33) KDM4ETDP1SMN1; SMN2ALDH1A1TP53
SCHEMBL20174435 0.80 ALDH1A1 (0.33) KDM4ESMN1; SMN2ALDH1A1NPC1HSD17B10
SCHEMBL20174403 0.79 PDK2 (0.43) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL20174416 0.78 PDK2 (0.44) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL20174365 0.78 ALDH1A1 (0.35) KDM4ETDP1SMN1; SMN2ALDH1A1TP53
SCHEMBL20174745 0.77 NTRK1 (0.37) KDM4ESMN1; SMN2ALDH1A1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (2 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG KDM4E 3633/4885TDP1 4309/4885SMN1; SMN2 3407/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG KDM4E 3633/4885TDP1 4309/4885SMN1; SMN2 3407/4885

“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.