SCHEMBL13166771

SCHEMBL13166771

CNCCNCc1cccc(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.51
▸ BACE1 P56817 4/20 0.51
▸ SCN8A Q9UQD0 1/20 0.44
▸ CARM1 Q86X55 3/20 0.43
▸ PRMT6 Q96LA8 3/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CHRM2 P08172 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL8260091 0.84 PRMT6 (0.49) BCHEBACE1CARM1PRMT6KDM4E
SCHEMBL13918962 0.83 BCHE (0.54) BCHEBACE1SCN8AKMT2AMEN1
SCHEMBL2912654 0.81 TAAR1 (0.58) BCHEBACE1CHRM2KDM4ECYP1A2
SCHEMBL17664610 0.81 BCHE (0.51) BCHEBACE1SCN8ACYP1A2CYP2D6
SCHEMBL13253641 0.81 MEN1 (0.47) CARM1PRMT6KMT2AMEN1TDP1
SCHEMBL18232504 0.81 MC4R (0.53) BCHEBACE1SCN8ACHRM2KDM4E
SCHEMBL13154916 0.81 BCHE (0.49) BCHEBACE1SCN8AKMT2AMEN1
SCHEMBL13166761 0.81 BCHE (0.49) BCHEBACE1SCN8AKMT2AMEN1
SCHEMBL13168316 0.79 CA1 (0.53) KMT2AMEN1TDP1KDM4E
SCHEMBL7813797 0.77 MEN1 (0.47) CARM1PRMT6KMT2AMEN1TDP1

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
US-8470850-B2 Inhibitors of VEGF receptor and HGF receptor signalling METHYLGENE INC. (CA) 2013-06-25 — — US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 — — US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 — — US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 — — US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 — — US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 — — US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 — — 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 (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-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 BCHE 4787/4885BACE1 1760/4885SCN8A 4608/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 BCHE 4768/4885BACE1 1608/4885SCN8A 4570/4885

“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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