SCHEMBL4403154

SCHEMBL4403154

CC(C)(C)Cc1cccc(-c2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.62
PRMT6 Q96LA8 1/20 0.62
MKNK1 Q9BUB5 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
MEN1 O00255 1/20 0.54
PSIP1 O75475 1/20 0.54
AXL P30530 1/20 0.54
CYP2A6 P11509 3/20 0.50
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
KIF11 P52732 1/20 0.49
BACE1 P56817 2/20 0.48
KMO O15229 1/20 0.45
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
CYP19A1 P11511 4/20 0.45
CYP17A1 P05093 2/20 0.45
DHFR P00374 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4404020 0.85 SCN8A (0.45) EPHX2PRMT6CYP2A6BACE1CYP19A1
SCHEMBL197793 0.84 GGPS1 (0.44) EPHX2PRMT6
SCHEMBL22338269 0.83 MKNK1 (0.61) EPHX2PRMT6MKNK1MKNK2MEN1
SCHEMBL4402446 0.83 PRKCI (0.61) EPHX2PRMT6CYP3A4KIF11CYP11B1
SCHEMBL4468765 0.81 EPHX2 (0.64) EPHX2PRMT6MKNK1MKNK2MEN1
SCHEMBL23951459 0.81 EPHX2 (0.52) EPHX2PRMT6MKNK1MKNK2MEN1
SCHEMBL2759632 0.81 EPHX2 (0.68) EPHX2PRMT6MKNK1MKNK2MEN1
SCHEMBL74145 0.80 CYP1A2 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31358573 0.80 CYP1A2 (0.55) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28795779 0.80 EPHX2 (0.57) EPHX2PRMT6MKNK1MKNK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240074309-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US 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-20240074309-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, TMEM109, USE1 EPHX2 1363/4885PRMT6 2161/4885MKNK1 4428/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK EPHX2 2126/4885PRMT6 1975/4885MKNK1 463/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK EPHX2 2126/4885PRMT6 1975/4885MKNK1 463/4885

“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.