SCHEMBL714990

SCHEMBL714990

[c]1ccccc1-c1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
DPP4 P27487 4/20 0.41
ADORA2A P29274 5/20 0.39
ADORA1 P30542 5/20 0.39
ADORA3 P0DMS8 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
ADORA2B P29275 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
WHR1 P49842 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL713781 0.81 L3MBTL1 (0.48) L3MBTL1ADORA2AADORA1ADORA3MEN1
SCHEMBL712288 0.77 L3MBTL1 (0.41) L3MBTL1ADORA2AADORA1MEN1KMT2A
SCHEMBL12306162 0.76 ADK (0.60) ADKL3MBTL1DPP4ADORA2AADORA1
SCHEMBL714991 0.74 ADK (0.50) ADKL3MBTL1DPP4ADORA2AADORA1
SCHEMBL28586211 0.73 RPS6KA3 (0.33) ADORA2AADORA1ATMMAPK1
SCHEMBL714996 0.73 KDM4E (0.52) L3MBTL1MEN1KMT2AATMSMN1; SMN2
SCHEMBL22460868 0.72 ADK (0.56) ADKL3MBTL1DPP4ADORA2AADORA1
SCHEMBL22461216 0.72 ADK (0.56) ADKL3MBTL1DPP4ADORA2AADORA1
SCHEMBL21398926 0.72 ADK (0.56) ADKL3MBTL1DPP4ADORA2AADORA1
SCHEMBL28594302 0.71 CDK5 (0.38) HSD17B10ALDH1A1MAPTHTT

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-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 ADK 2003/4885L3MBTL1 988/4885DPP4 4750/4885

“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.