SCHEMBL255140

SCHEMBL255140

CC(C)(C)OC(=O)N1CC(n2ccc(N)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
NAMPT P43490 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
USP30 Q70CQ3 3/20 0.39
SRC P12931 2/20 0.39
EGFR P00533 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
JAK3 P52333 1/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
BACE1 P56817 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
PIK3CA P42336 2/20 0.39
RORC P51449 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 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
SCHEMBL31052491 0.90 SRC (0.48) GPR119USP30SRCEGFRCTSD
SCHEMBL1557907 0.87 CTSD (0.49) GPR119CTSDCTSEBACE1
SCHEMBL25432161 0.85 NR1H2 (0.40) NR1H2NAMPTGPR119USP30RORC
SCHEMBL31056160 0.84 FPR2 (0.42) NR1H2NAMPTGPR119USP30RORC
SCHEMBL21063625 0.83 USP30 (0.41) NR1H2NAMPTGPR119USP30SRC
SCHEMBL25308596 0.83 PIK3CA (0.42) NR1H2NAMPTGPR119USP30SRC
SCHEMBL26090665 0.82 NR1H2 (0.38) NR1H2NAMPTGPR119USP30JAK3
SCHEMBL21063582 0.81 NR1H2 (0.42) NR1H2NAMPTGPR119USP30JAK3
SCHEMBL20743309 0.80 KDM4A (0.40) HDAC1HDAC2SMARCA2SMARCA4PBRM1
SCHEMBL15293710 0.80 ALDH1A1 (0.44) NR1H2NAMPTGPR119USP30RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103201277-B Pyridazinone, its preparation method and using method GILEAD CONNECTICUT, INC. (US) 2015-11-25 CN disclosed
US-8975260-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC (US) 2015-03-10 US disclosed
US-8975260-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC (US) 2015-03-10 US disclosed
US-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-03 US disclosed
US-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-03 US disclosed
CN-103201277-A Pyridazinones, method of making, and method of use thereof GILEAD CONNECTICUT INC 2013-07-10 CN disclosed
WO-2012030990-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 WO 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-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, TYK2, LCK NR1H2 1630/4885NAMPT 783/4885GPR119 3133/4885

“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.