SCHEMBL18914874

SCHEMBL18914874

C=C/C(=N\C(C)=N/C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.39
▸ G6PC1 P35575 1/20 0.33
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL19017792 0.82 L3MBTL1 (0.37) HTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL18868783 0.82 AKT1 (0.46) AKT1G6PC1CES2CES1LMNA
SCHEMBL20470769 0.82 AKT1 (0.46) AKT1G6PC1CES2CES1LMNA
SCHEMBL19965162 0.80 PKM (0.40) ALDH1A1
SCHEMBL20647434 0.74 AKT1 (0.39) AKT1
SCHEMBL27910238 0.71 AKT1 (0.48) AKT1CES2CES1MAPK1ATM
SCHEMBL26502826 0.70 AKT1 (0.39) AKT1
SCHEMBL19773599 0.70 AKT1 (0.46) AKT1CES2CES1MAPK1L3MBTL1
SCHEMBL17130915 0.69 CES2 (0.36) AKT1CES2CES1LMNAL3MBTL1
SCHEMBL27085483 0.69 KMT2A (0.42) CES2CES1LMNAHTTL3MBTL1

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-20170179397-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 — — US disclosed
US-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 — — 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-20170155057-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, OCIAD1, CCNT1 AKT1 4139/4885G6PC1 3853/4885CES2 734/4885

“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.

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