SCHEMBL20174943

SCHEMBL20174943

c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)ccc3-c3c2sc2ccccc32)c2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
ALK Q9UM73 1/20 0.32
PDK2 Q15119 1/20 0.31
GPR3 P46089 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20174957 1.00 CYP1A2 (0.32) CYP1A2ALKPDK2GPR3ALDH1A1
SCHEMBL20179324 0.94 PDK2 (0.34) ALKPDK2
SCHEMBL20199274 0.94 PDK2 (0.34) ALKPDK2
SCHEMBL20174916 0.94 PDK2 (0.34) ALKPDK2
SCHEMBL20199212 0.93 ALDH1A1 (0.33) ALKPDK2GPR3ALDH1A1POLB
SCHEMBL20199223 0.93 PDK2 (0.33) ALKPDK2
SCHEMBL20199237 0.92 ALK (0.32) ALKPDK2
SCHEMBL20199285 0.92 PDK2 (0.34) CYP1A2PDK2
SCHEMBL20174959 0.91
SCHEMBL20174962 0.91 ALOX5 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3360868-B1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2023-09-20 EP disclosed
US-11075342-B2 Spiro-type compound and organic light emitting diode comprising same LG CHEM, LTD. 2021-07-27 US disclosed
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE 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-11075342-B2 Spiro-type compound and organic light emitting diode comprising same CRY1, NR2E3, ALDH1A2 CYP1A2 334/4885ALK 3042/4885PDK2 580/4885
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 CYP1A2 334/4885ALK 3042/4885PDK2 580/4885

“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.