SCHEMBL12435525

SCHEMBL12435525

Cn1c2cnc(-c3cccnc3)cc2c2c(-c3ccc(NS(=O)(=O)CCl)cc3)c(F)cnc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.35
PIM1 P11309 2/20 0.34
GSK3B P49841 1/20 0.34
CYP2A6 P11509 3/20 0.34
GRIN1 Q05586 8/20 0.34
GRIN2B Q13224 8/20 0.34
CYP2E1 P05181 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2C19 P33261 2/20 0.33
BRD4 O60885 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP3A4 P08684 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL1561368 0.88 POLB (0.36) MAPK10PIM1GSK3BCYP2A6MEN1
SCHEMBL12435540 0.86 CTPS1 (0.43)
SCHEMBL12435522 0.82 PIM1 (0.39) PIM1CYP2A6GRIN1GRIN2BCYP2E1
SCHEMBL1560919 0.81 CHEK1 (0.43) PIM1
SCHEMBL11929456 0.79 SLC2A1 (0.44) PIM1CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL12435456 0.77 CYP2A6 (0.43) PIM1CYP2A6GRIN1GRIN2BCYP2E1
SCHEMBL12435461 0.76 PIM1 (0.46) PIM1CYP2A6GRIN1GRIN2BCYP2E1
SCHEMBL1560996 0.76 CTPS1 (0.40) CYP11B1CYP11B2
SCHEMBL12435549 0.75 PDPK1 (0.39) PIM1CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL11929454 0.75 CYP2A6 (0.43) PIM1CYP2A6GRIN1GRIN2BCYP2E1

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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B MAPK10 2400/4885PIM1 2969/4885GSK3B 2551/4885

“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.