SCHEMBL44380

SCHEMBL44380

O=C(NCc1cccc(-c2cn3ccccc3n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 3/20 0.54
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 4/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
POLB P06746 2/20 0.48
GFER P55789 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
NAMPT P43490 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL44281 0.80 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL1789376 0.78 BLM (0.58) EPHB4RAB9ACA1CA2CA7
SCHEMBL1790612 0.77 NAMPT (0.57) EPHB4SMN1; SMN2RAB9ANPC1CA1
SCHEMBL1790350 0.77 CA1 (0.53) EPHB4RAB9ACA1CA2CA7
SCHEMBL1787907 0.77 ROCK2 (0.63) RAB9ACA1CA2CA7CA9
SCHEMBL1790844 0.77 NAMPT (0.66) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL1791875 0.77 TRPV1 (0.60) RAB9ACA1CA2CA7CA9
SCHEMBL1790961 0.76 CA1 (0.54) EPHB4RAB9ACA1CA2CA7
SCHEMBL1789121 0.76 CA1 (0.56) EPHB4RAB9ACA1CA2CA7
SCHEMBL1789572 0.75 CA1 (0.49) EPHB4RAB9ANPC1MAPTKMT2A

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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
EP-2214669-B1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2015-04-01 EP disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 WO disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 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-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer IL1B, IL1A, IL17A EPHB4 2048/4885ALDH1A1 391/4885KDM4E 1644/4885

“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.