SCHEMBL20174662

SCHEMBL20174662

c1cncc(-c2cccc3c2C2(c4ccccc4-c4ccccc42)c2sc4ccccc4c2-3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.43
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2A6 P11509 4/20 0.35
DHPS P49366 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE10A Q9Y233 1/20 0.33
GPR84 Q9NQS5 1/20 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
SCHEMBL20174540 0.82 CYP11B1 (0.42) PDK2CYP11B1CYP11B2RAB9ANPC1
SCHEMBL20174632 0.81 ALDH1A1 (0.39) PDK2CYP11B1RAB9ANPC1ALDH1A1
SCHEMBL20174654 0.79 PDK2 (0.39) PDK2CYP11B1RAB9ANPC1ALDH1A1
SCHEMBL20174566 0.78 MEN1 (0.35) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL22326527 0.77 F9 (0.35) PDK2ALOX5
SCHEMBL20174677 0.77 ACACA (0.39) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL20174656 0.76 KDM4E (0.35) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL20174740 0.76 GPR3 (0.40) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL20174643 0.76 MEN1 (0.33) PDK2ALDH1A1KDM4EMAPTHPGD
SCHEMBL20174604 0.75 ENPP3 (0.33) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2

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 PDK2 651/4885CYP11B1 618/4885CYP11B2 397/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885CYP11B1 618/4885CYP11B2 397/4885

“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.