SCHEMBL714849

SCHEMBL714849

[c]1ccccc1-c1cn(-c2ccccc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
NOTUM Q6P988 2/20 0.44
MAOA P21397 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
PTGS2 P35354 2/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
PTGS1 P23219 1/20 0.42
CDC7 O00311 1/20 0.42
FLT3 P36888 3/20 0.41
MIF P14174 3/20 0.41
OGT O15294 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL1848925 0.76 BRD4 (0.40)
SCHEMBL714850 0.75 PTGS2 (0.54) P2RX7NOTUMMAOAL3MBTL1CA12
SCHEMBL1119554 0.74 PTGS2 (0.66) P2RX7NOTUMMAOAL3MBTL1CA12
SCHEMBL15474648 0.73 CYP19A1 (0.62) PTGS2CDC7FLT3
Bromide SCHEMBL6256547 0.73 PTGS2 (0.64) P2RX7NOTUMMAOAL3MBTL1CA12
SCHEMBL17002425 0.72 PTGS2 (0.55) CA12CA1CA2CA9KEAP1
SCHEMBL17002364 0.72 CA2 (0.58) CA12CA1CA2CA9KEAP1
SCHEMBL17002292 0.72 PTGS2 (0.55) CA12CA1CA2CA9KEAP1
SCHEMBL17002291 0.72 PTGS2 (0.55) CA12CA1CA2CA9KEAP1
SCHEMBL17002429 0.71 CA1 (0.50) P2RX7CA12CA1CA2CA9

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 P2RX7 2199/4885NOTUM 3459/4885MAOA 503/4885

“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.