SCHEMBL20174699

SCHEMBL20174699

Brc1cccc2c1-c1ccccc1C21c2ccccc2-c2c1sc1ccccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.42
GPR3 P46089 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
SLC9A1 P19634 1/20 0.30

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
SCHEMBL20199304 0.87 PDK2 (0.35) PDK2GPR3L3MBTL1
SCHEMBL20174740 0.86 GPR3 (0.40) GPR3L3MBTL1
SCHEMBL20174701 0.82 PDK2 (0.41) PDK2GPR3L3MBTL1
SCHEMBL20174702 0.82 PDK2 (0.41) PDK2GPR3L3MBTL1CA1CA2
SCHEMBL19760330 0.80 PDK2 (0.38) PDK2GPR3L3MBTL1
SCHEMBL19760332 0.80 ALDH1A1 (0.39) PDK2GPR3L3MBTL1
SCHEMBL16855607 0.80 MEN1 (0.40) PDK2GPR3
SCHEMBL19760326 0.80 PDK2 (0.40) PDK2GPR3
SCHEMBL20199305 0.79 GABRA1 (0.33) PDK2L3MBTL1SLC9A1
SCHEMBL4195471 0.78 PDK2 (0.58) PDK2L3MBTL1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885GPR3 2192/4885L3MBTL1 2838/4885
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885GPR3 2192/4885L3MBTL1 2838/4885

“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.