SCHEMBL14772001

SCHEMBL14772001

COc1ccc(CNC(=O)c2cnc(S(C)(=O)=O)nc2Cc2cccc(NC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
CNR2 P34972 4/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TLR9 Q9NR96 1/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
AURKA O14965 2/20 0.41
RPS6KB1 P23443 2/20 0.41
SLC2A1 P11166 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
AURKB Q96GD4 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
STAMBP O95630 1/20 0.39
COPS5 Q92905 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 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
SCHEMBL14769164 0.92 AURKA (0.41) NPC1RAB9AMEN1KMT2ATLR9
SCHEMBL14772002 0.88 POLB (0.53) BTKCNR2MAPTLMNAAURKA
SCHEMBL21110444 0.87 BTK (0.58) BTKCNR2NPC1RAB9AMEN1
SCHEMBL12518624 0.86 MEN1 (0.47) BTKCNR2NPC1RAB9AMEN1
SCHEMBL14772003 0.85 CNR2 (0.59) BTKCNR2MEN1KMT2AMAPT
SCHEMBL14769222 0.85 MAPT (0.42) NPC1RAB9AMEN1KMT2ATLR9
SCHEMBL14769227 0.81 CNR2 (0.57) BTKCNR2MEN1KMT2AMAPT
SCHEMBL14769185 0.80 RXFP1 (0.51) MEN1KMT2ATP53MAPTLMNA
SCHEMBL13498140 0.79 NPC1 (0.42) CNR2NPC1RAB9AMEN1KMT2A
SCHEMBL21110442 0.76 BTK (0.60) BTKCNR2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710222-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 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-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 BTK 594/4885CNR2 238/4885NPC1 48/4885

“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.