Sugi Predict

Sugi Predict / Compounds / SCHEMBL4246018

SCHEMBL4246018

SCHEMBL4246018

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cncc(Br)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 12/20 0.79
▸ ALOX5 P09917 1/20 0.64
▸ TBXAS1 P24557 1/20 0.64
▸ SLC6A3 Q01959 1/20 0.64
▸ SIGMAR1 Q99720 1/20 0.64
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ NTRK1 P04629 1/20 0.44
▸ USP8 P40818 1/20 0.42
▸ DEGS1 O15121 1/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL4249779 0.91 EPHX2 (0.82) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4253940 0.91 EPHX2 (0.91) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL14508056 0.90 EPHX2 (0.79) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701963 0.89 EPHX2 (0.84) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4257116 0.88 EPHX2 (0.89) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246762 0.86 EPHX2 (0.86) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4257065 0.86 EPHX2 (0.86) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL18996608 0.86 EPHX2 (0.58) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702014 0.86 EPHX2 (0.89) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4257333 0.86 EPHX2 (0.76) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170172984-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. (US) 2017-06-22 — — US disclosed
WO-2015127284-A2 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. (US) 2015-08-27 — — WO disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 — — US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 — — US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 — — US disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 — — 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 (2 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX EPHX2 2/4885ALOX5 60/4885TBXAS1 221/4885
US-20170172984-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS CCNA1, CCNE1, CCNB1 EPHX2 4179/4885ALOX5 3719/4885TBXAS1 1898/4885

“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.