SCHEMBL20174649

SCHEMBL20174649

c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3sc5ccccc5c3-4)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.44
MIF P14174 1/20 0.36
GABRA1 P14867 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
DHODH Q02127 1/20 0.34
CASP3 P42574 2/20 0.34
CASP7 P55210 2/20 0.34
KRAS P01116 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL20174671 0.94 PDK2 (0.40) PDK2MIFGABRA1PIK3CDPIK3CA
SCHEMBL20174664 0.90 PDK2 (0.44) PDK2MIFGABRA1PIK3CDPIK3CA
SCHEMBL20174663 0.87 PDK2 (0.47) PDK2PIK3CDPIK3CAPIK3CGKDM4E
SCHEMBL20179239 0.86 PDK2 (0.34) PDK2MIFGABRA1KDM4EALDH1A1
SCHEMBL20174601 0.84 PDK2 (0.40) PDK2DHODH
SCHEMBL20174593 0.84 PDK2 (0.40) PDK2DHODH
SCHEMBL20174647 0.84 PDK2 (0.40) PDK2DHODH
SCHEMBL20174685 0.84 KDM4E (0.36) PDK2KDM4EALDH1A1TP53TSHR
SCHEMBL20174622 0.83 MEN1 (0.38) PDK2DHODHKDM4EALDH1A1GLA
SCHEMBL20174633 0.83 MEN1 (0.38) PDK2DHODHKDM4EALDH1A1GLA

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 651/4885MIF 1940/4885GABRA1 2585/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885MIF 1940/4885GABRA1 2585/4885

“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.