SCHEMBL714449

SCHEMBL714449

[c]1ccccc1-c1cnc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.53
PDGFRA P16234 4/20 0.53
CYP2A6 P11509 1/20 0.50
BIRC5 O15392 1/20 0.49
PIK3CD O00329 2/20 0.47
PIK3CA P42336 2/20 0.47
CYP1A2 P05177 1/20 0.46
NISCH Q9Y2I1 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
GRM4 Q14833 1/20 0.45
MAP4K4 O95819 1/20 0.43
CSNK1G2 P78368 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43

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
SCHEMBL27851431 0.81 PDGFRB (0.48) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL714576 0.80 CYP2A6 (0.37) PDGFRBPDGFRACYP2A6NISCHALDH1A1
SCHEMBL28135503 0.80 NPC1 (0.62) PDGFRBPDGFRACYP2A6PIK3CDPIK3CA
SCHEMBL32667946 0.79 PDGFRB (0.77) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL2772360 0.79 PDGFRB (0.77) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL716130 0.79 PIK3CA (0.37) PDGFRBPDGFRACYP2A6PIK3CAALDH1A1
SCHEMBL28592412 0.78 ALDH1A1 (0.50) PDGFRBPDGFRAPIK3CDPIK3CACYP1A2
SCHEMBL7873327 0.77 PDGFRB (0.54) PDGFRBPDGFRACYP2A6BIRC5PIK3CD
SCHEMBL28599509 0.76 KDM4E (0.50) PDGFRBPDGFRAPIK3CDPIK3CAGRM4
SCHEMBL713492 0.76 CCR1 (0.50) CYP2A6MTORALDH1A1NPC1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 CN disclosed
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 PDGFRB 4555/4885PDGFRA 4186/4885CYP2A6 3399/4885

“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.