SCHEMBL20174191

SCHEMBL20174191

Cc1nc2c(C)c(C)c3nc(C)c(C)nc3c2nc1C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HKDC1 Q2TB90 1/20 0.31

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
SCHEMBL76929 0.92 MAPT (0.33) NQO2MAPTKDM4EALDH1A1LMNA
SCHEMBL812478 0.88 NQO2 (0.35) NQO2MAPTKDM4EALDH1A1LMNA
SCHEMBL3874742 0.88 MAPT (0.38) NQO2MAPTKDM4EALDH1A1LMNA
SCHEMBL26826367 0.85 IDO1 (0.32) ALDH1A1
SCHEMBL78377 0.74 IDO1 (0.32)
SCHEMBL768983 0.72 MEN1 (0.31) MAPT
SCHEMBL15339507 0.70 HTT (0.37) NQO2MAPTKDM4EALDH1A1
SCHEMBL16501144 0.70 ADORA2A (0.31) MAPTALDH1A1
SCHEMBL13840466 0.70 KCNJ1 (0.33)
SCHEMBL26194074 0.69 MAPT (0.33) NQO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 NQO2 2761/4885MAPT 811/4885KDM4E 3633/4885

“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.