SCHEMBL21929612

SCHEMBL21929612

N#Cc1cnccc1-c1ccccc1N1c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.40
CES2 O00748 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.36
GAA P10253 1/20 0.36
CES1 P23141 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.35
GRM4 Q14833 1/20 0.35
HTT P42858 2/20 0.35
GRIA1 P42261 1/20 0.34
GRIA3 P42263 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP1A2 P05177 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL21927229 0.99 UCHL1 (0.39) UCHL1CES2ALDH1A1BCHEGAA
SCHEMBL21928178 0.91 CYP1A2 (0.39) UCHL1CES2ALDH1A1BCHEGAA
SCHEMBL21929610 0.89 ATR (0.37) CES2ALDH1A1BCHEGAACES1
SCHEMBL21927228 0.88 ATR (0.36) CES2ALDH1A1BCHEGAACES1
SCHEMBL21927727 0.87 GABRG2 (0.37) UCHL1ALDH1A1NPSR1NCOA3CYP1A2
SCHEMBL21927237 0.85 UCHL1 (0.38) UCHL1ALDH1A1NPSR1NCOA3HTT
SCHEMBL21929622 0.84 PDE10A (0.40) CES2ALDH1A1BCHEGAACES1
SCHEMBL21927336 0.82 UCHL1 (0.39) UCHL1ALDH1A1GAANCOA3HTT
SCHEMBL21927712 0.82 UCHL1 (0.39) UCHL1ALDH1A1GAANCOA3HTT
SCHEMBL21692378 0.80 GRM4 (0.40) CES2ALDH1A1BCHEGAACES1

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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 UCHL1 2876/4885CES2 2568/4885ALDH1A1 511/4885

“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.