SCHEMBL4138112

SCHEMBL4138112

O=C(OCc1ccccc1)N1CCC(n2ncc(-c3ccc4c(c3)CC/C4=N\OCc3ccccc3)c2-c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
BRAF P15056 3/20 0.43
MAPK3 P27361 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2C19 P33261 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
HTT P42858 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL4128757 0.93 BRAF (0.45) GRIN2BCYP2D6CYP2C9BRAFMAPK3
SCHEMBL4128754 0.93 BRAF (0.45) GRIN2BCYP2D6CYP2C9BRAFMAPK3
SCHEMBL4138114 0.84 BRAF (0.41) BRAFMAPK3MAPK1
SCHEMBL4133266 0.78 GRIN2B (0.56) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL4133276 0.70 BRAF (0.66) BRAFMAPK3MAPK1
SCHEMBL5117324 0.68 SMN1; SMN2 (0.43) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL5104915 0.68 SMN1; SMN2 (0.43) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL5204449 0.68 SMN1; SMN2 (0.43) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL5117318 0.68 SMN1; SMN2 (0.43) GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2
SCHEMBL5111565 0.68 BRAF (0.45) GRIN2BCYP2D6CYP2C9BRAFCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 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-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF GRIN2B 4343/4885CYP2D6 3993/4885CYP2C9 4377/4885

“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.