SCHEMBL868109

SCHEMBL868109

CN(C)CCn1cc(Br)c2c(Cl)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 2/20 0.41
▸ HTR6 P50406 10/20 0.36
▸ EGFR P00533 1/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ SRC P12931 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FLT3 P36888 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ DRD3 P35462 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
SCHEMBL20351549 0.84 ADK (0.40) ADKHTR6HTR2AHTR2CHTR7
SCHEMBL17818399 0.83 ADK (0.41) ADKHTR6HTR2AHTR2CHTR7
SCHEMBL868932 0.83 FLT3 (0.42) ADKEGFRSRCFLT3
SCHEMBL29052179 0.81 ADK (0.41) ADKSRCMEN1NR2F2KMT2A
SCHEMBL29781101 0.81 ADK (0.41) ADKSRCMEN1NR2F2KMT2A
SCHEMBL868204 0.80 ADK (0.41) ADKSRCMEN1NR2F2KMT2A
SCHEMBL869182 0.77 ADK (0.43) ADKSRCMEN1NR2F2KMT2A
SCHEMBL20351770 0.76 FLT3 (0.46) HTR6SRCFLT3
SCHEMBL1585892 0.75 ADK (0.40) ADKHTR6MEN1NR2F2KMT2A
SCHEMBL868823 0.75 ADK (0.49) ADKEGFRSRCMEN1NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 — — EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 — — US disclosed
CN-102917588-A Chemical compounds GLAXOSMITHKLINE LLC 2013-02-06 — — CN disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 — — EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 — — US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 — — US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 — — 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 (2 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R ADK 1509/4885HTR6 940/4885EGFR 49/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R ADK 1509/4885HTR6 940/4885EGFR 49/4885

“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.

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