SCHEMBL20174647

SCHEMBL20174647

c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4sc6ccccc6c4-5)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 17/20 0.40
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.33
DHODH Q02127 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
SCHEMBL20174593 1.00 PDK2 (0.40) PDK2MEN1KMT2ACYP19A1DHODH
SCHEMBL20174601 1.00 PDK2 (0.40) PDK2MEN1KMT2ACYP19A1DHODH
SCHEMBL20174594 0.98 PDK2 (0.38) PDK2MEN1KMT2ACYP19A1
SCHEMBL20174571 0.97 PDK2 (0.36) PDK2
SCHEMBL20174609 0.93 PDK2 (0.34) PDK2MEN1KMT2ACYP19A1
SCHEMBL20174606 0.92 MEN1 (0.38) PDK2MEN1KMT2ADHODH
SCHEMBL20174633 0.92 MEN1 (0.38) PDK2MEN1KMT2ADHODH
SCHEMBL20174622 0.92 MEN1 (0.38) PDK2MEN1KMT2ADHODH
SCHEMBL20174630 0.91 CYP1A1 (0.37) PDK2
SCHEMBL22326586 0.90 PDK2 (0.33) PDK2

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 651/4885MEN1 611/4885KMT2A 1480/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885MEN1 611/4885KMT2A 1480/4885

“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.