SCHEMBL20174534

SCHEMBL20174534

c1ccc(-c2ccc3c(c2)-c2sc4ccccc4c2C32c3ccccc3-c3ccccc32)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MIF P14174 1/20 0.38
GABRA1 P14867 1/20 0.38
TGFBR1 P36897 1/20 0.37
KRAS P01116 1/20 0.36
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
CASP3 P42574 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
SCHEMBL20174542 0.95 PDK2 (0.41) PDK2PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL20174527 0.86 PDK2 (0.39) PDK2PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL20174522 0.84 MAPT (0.37) ALOX5KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL20174664 0.82 PDK2 (0.44) PDK2PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL20174563 0.81 KDM4E (0.35) PDK2TGFBR1KRASALOX5KDM4E
SCHEMBL18590032 0.80 PDK2 (0.34) PDK2MIFGABRA1TGFBR1KRAS
SCHEMBL20174560 0.79 KDM4E (0.34) PDK2TGFBR1ALOX5KDM4EALDH1A1
SCHEMBL20174469 0.79 PDK2 (0.37) PDK2ALOX5DHODH
SCHEMBL20174472 0.79 PDK2 (0.37) PDK2ALOX5DHODH
SCHEMBL20174449 0.79 PDK2 (0.37) PDK2ALOX5DHODH

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 651/4885PIK3CD 4799/4885PIK3CA 4630/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885PIK3CD 4799/4885PIK3CA 4630/4885

“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.