SCHEMBL12423624

SCHEMBL12423624

N#Cc1ccc(S(=O)(=O)N2CC[C@@H](n3cnc4cnc5c(c43)CCN5)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.44
CYP19A1 P11511 1/20 0.41
CCR6 P51684 7/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK2 O60674 2/20 0.39
HSD11B1 P28845 3/20 0.37
PKM P14618 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL2289358 0.80 JAK1 (0.69) JAK1JAK2
SCHEMBL2289353 0.80 JAK1 (0.69) JAK1JAK2
SCHEMBL12424561 0.77 JAK1 (0.47) JAK1JAK2PKM
SCHEMBL2293760 0.76 JAK1 (0.62) JAK1JAK2
SCHEMBL2293757 0.76 JAK1 (0.62) JAK1JAK2
SCHEMBL2293440 0.75 JAK1 (0.78) JAK1JAK2
SCHEMBL2298712 0.71 JAK1 (0.68) JAK1JAK2
SCHEMBL2298706 0.71 JAK1 (0.68) JAK1JAK2
SCHEMBL12425820 0.70 JAK1 (0.37) JAK1JAK2
SCHEMBL12424357 0.69 JAK1 (0.40) JAK1JAK2

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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK1 434/4885CYP19A1 31/4885CCR6 681/4885

“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.