SCHEMBL4468765

SCHEMBL4468765

CCCc1cccc(-c2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.64
PRMT6 Q96LA8 1/20 0.64
BACE1 P56817 2/20 0.52
PSMB5 P28074 1/20 0.52
CYP2A6 P11509 3/20 0.52
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
MKNK1 Q9BUB5 3/20 0.51
MKNK2 Q9HBH9 3/20 0.51
MEN1 O00255 1/20 0.51
PSIP1 O75475 1/20 0.51
AXL P30530 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP19A1 P11511 3/20 0.48
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL23420347 0.89 EPHX2 (0.54) EPHX2PRMT6PSMB5CYP2A6CYP3A4
SCHEMBL2759632 0.86 EPHX2 (0.68) EPHX2PRMT6BACE1CYP2A6CYP3A4
SCHEMBL196298 0.83 CTSS (0.51) PRMT6CTSSCTSK
SCHEMBL30777855 0.83 CTSS (0.51) PRMT6CTSSCTSK
SCHEMBL1130316 0.83 EPHX2 (0.59) EPHX2PRMT6BACE1CYP2A6CYP3A4
SCHEMBL5216350 0.83 CHRNA7 (0.65) EPHX2PRMT6BACE1CYP2A6CYP3A4
SCHEMBL1138158 0.83 EPHX2 (0.59) EPHX2PRMT6BACE1CYP2A6CYP3A4
SCHEMBL1139185 0.83 EPHX2 (0.59) EPHX2PRMT6BACE1CYP2A6CYP3A4
SCHEMBL4490381 0.82 PRKCI (0.62) EPHX2PRMT6CYP3A4CYP19A1CYP11B1
SCHEMBL16068455 0.82 CYP2A6 (0.62) EPHX2PRMT6PSMB5CYP2A6CYP3A4

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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK EPHX2 2126/4885PRMT6 1975/4885BACE1 4379/4885

“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.