SCHEMBL19170141

SCHEMBL19170141

Cc1nc(-n2c3ccccc3c3ccccc32)nc2sc3ccccc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.39
▸ MAPT P10636 4/20 0.36
▸ ADK P55263 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.34
▸ KDM4E B2RXH2 6/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ PRNP P04156 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GPR3 P46089 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL16905633 0.84 ELANE (0.39) ELANEMAPTADKGPR55KDM4E
SCHEMBL19161968 0.82 ELANE (0.36) ELANEMAPTADKGPR55KDM4E
SCHEMBL16905742 0.81 KDM4E (0.35) ELANEMAPTADKKDM4EGAA
SCHEMBL16905741 0.78 KDM4E (0.35) ELANEADKKDM4ERAB9AMEN1
SCHEMBL19169218 0.77 GPR55 (0.48) ELANEMAPTADKGPR55KDM4E
SCHEMBL16919839 0.77 MAPT (0.46) MAPTKDM4ENPSR1ALDH1A1HPGD
SCHEMBL19679706 0.76 KDM4E (0.32) ELANEMAPTADKKDM4EGAA
SCHEMBL19169966 0.75 PTGER4 (0.40) ELANEMAPTKDM4ENPSR1ALDH1A1
SCHEMBL19169968 0.75 KDM4E (0.39) ELANEMAPTKDM4EEGLN1NPSR1
SCHEMBL16905737 0.74 GPR3 (0.38) MAPTKDM4EALDH1A1HPGDRAB9A

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-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 — — 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-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ELANE 2532/4885MAPT 1589/4885ADK 4277/4885

“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.

Send feedback