SCHEMBL4402768

SCHEMBL4402768

CN(C)C(=O)NCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.66
NR1H4 Q96RI1 12/20 0.66
TSHR P16473 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 2/20 0.55
LMNA P02545 1/20 0.55
NPC1 O15118 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL3420620 0.82 EPHX2 (0.65) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL16994790 0.80 TSHR (0.63) TSHRMEN1KMT2ARAB9ALMNA
SCHEMBL4403136 0.80 EPHX2 (0.68) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL4508687 0.80 TSHR (0.63) EPHX2NR1H4TSHRHDAC6MEN1
SCHEMBL4618832 0.80 EPHX2 (0.68) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL20252441 0.80 EPHX2 (0.55) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL4881592 0.79 EPHX2 (0.61) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL2827305 0.79 EPHX2 (0.69) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL1134867 0.78 TSHR (0.60) TSHRMEN1KMT2ACYP1A2CYP2C19
SCHEMBL4428204 0.77 KMT2A (0.66) EPHX2NR1H4TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
CN-103201277-B Pyridazinone, its preparation method and using method GILEAD CONNECTICUT, INC. (US) 2015-11-25 CN disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US 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-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
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
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 (3 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 EPHX2 2538/4885NR1H4 1575/4885TSHR 2218/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK EPHX2 2126/4885NR1H4 3486/4885TSHR 3127/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK EPHX2 2126/4885NR1H4 3486/4885TSHR 3127/4885

“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.