SCHEMBL20094136

SCHEMBL20094136

C=Cc1c(/C=C\C)nc2n(C)c3ccccc3n12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.37
EGFR P00533 1/20 0.37
ADORA2B P29275 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ATM Q13315 1/20 0.31
ADORA2A P29274 1/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 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
SCHEMBL20124327 0.79 ADORA1 (0.47) ADORA1EGFRADORA2BKDM4EALDH1A1
SCHEMBL20124331 0.78 ADORA1 (0.46) ADORA1EGFRADORA2BKDM4EALDH1A1
SCHEMBL19054923 0.76 KDM4E (0.41) KDM4EALDH1A1L3MBTL1ATMNPC1
SCHEMBL21415870 0.76 KDM4E (0.41) KDM4EALDH1A1L3MBTL1ATMNPC1
SCHEMBL20124332 0.74 ADORA1 (0.37) ADORA1EGFRADORA2BKDM4EALDH1A1
SCHEMBL23636164 0.73
SCHEMBL20616753 0.71 ADORA2B (0.36) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL24632024 0.70 TP53 (0.31) MAPT
SCHEMBL24117728 0.70
SCHEMBL23203557 0.68 SMN1; SMN2 (0.36) KDM4EALDH1A1NPC1MAPTRAB9A

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-20180114925-A1 FLUORESCENT ORGANIC LIGHT EMITTING ELEMENTS HAVING HIGH EFFICIENCY UDC IRELAND LTD (IE) 2018-04-26 US disclosed
US-9243018-B2 Synthetic heparin pentasaccharides DR. REDDY'S LABORATORIES, SA (CH) 2016-01-26 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-20180114925-A1 FLUORESCENT ORGANIC LIGHT EMITTING ELEMENTS HAVING HIGH EFFICIENCY TEAD1, TEAD2, TEAD4 ADORA1 2688/4885EGFR 4145/4885ADORA2B 4152/4885

“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.