SCHEMBL714576

SCHEMBL714576

[c]1ccccc1-c1cnc2cccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
NPC1 O15118 3/20 0.35
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TGFBR1 P36897 2/20 0.33
SYK P43405 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
TOP1 P11387 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL714449 0.80 PDGFRB (0.53) CYP2A6ALDH1A1PDGFRBPDGFRANPC1
SCHEMBL21295700 0.77 ALDH1A1 (0.46) ALDH1A1PDGFRBPDGFRANPC1POLB
SCHEMBL716130 0.76 PIK3CA (0.37) CYP2A6ALDH1A1PDGFRBPDGFRANPC1
SCHEMBL5303005 0.75 CYP2A6 (0.51) CYP2A6ALDH1A1PDGFRBPDGFRANPC1
SCHEMBL714577 0.75 PDGFRB (0.42) CYP2A6ALDH1A1PDGFRBPDGFRANPC1
SCHEMBL28135503 0.74 NPC1 (0.62) CYP2A6ALDH1A1PDGFRBPDGFRANPC1
SCHEMBL713492 0.74 CCR1 (0.50) CYP2A6ALDH1A1NPC1POLBRAB9A
SCHEMBL13370752 0.72 TGFBR1 (0.43) ALDH1A1NPC1POLBRAB9ABCHE
SCHEMBL18627394 0.72 NPC1 (0.53) CYP2A6ALDH1A1PDGFRBPDGFRANPC1
SCHEMBL4367935 0.71 CYP2A6 (0.41) CYP2A6ALDH1A1PDGFRBPDGFRANPC1

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 4 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
EP-2299825-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed
WO-2009148887-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2009-12-10 WO 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 CYP2A6 3399/4885ALDH1A1 1391/4885PDGFRB 4555/4885

“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.