SCHEMBL19731966

SCHEMBL19731966

C#C/C=C\c1c(C)nc2n(C)c3ccccc3n12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.42
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
EGFR P00533 1/20 0.36
ADORA2B P29275 2/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ATM Q13315 1/20 0.30
ADORA2A P29274 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 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
SCHEMBL20124331 0.82 ADORA1 (0.46) ADORA1KDM4EALDH1A1L3MBTL1EGFR
SCHEMBL20124327 0.78 ADORA1 (0.47) ADORA1KDM4EALDH1A1L3MBTL1EGFR
SCHEMBL21913211 0.76 KDM4E (0.37) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL21325673 0.73 PDE2A (0.37) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL26453889 0.70 EGFR (0.32) ADORA1EGFR
SCHEMBL19233749 0.69 ADORA1 (0.51) ADORA1KDM4EALDH1A1L3MBTL1EGFR
SCHEMBL23343248 0.69 GPR3 (0.42) KDM4EALDH1A1L3MBTL1EGFRATM
SCHEMBL25888956 0.69 HSD17B10 (0.36) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL26455431 0.68 ADORA1 (0.30) ADORA1
SCHEMBL13317080 0.67 ADORA1 (0.66) ADORA1KDM4EALDH1A1L3MBTL1EGFR

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-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) IDEMITSU KOSAN CO., LTD. (JP) 2017-12-21 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-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) OCIAD1, OCIAD2, DDT ADORA1 2001/4885KDM4E 4056/4885ALDH1A1 99/4885

“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.