SCHEMBL4247407

SCHEMBL4247407

O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cn1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.65
PTGS2 P35354 1/20 0.56
ALOX5 P09917 1/20 0.49
TBXAS1 P24557 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
CRACR2A Q9BSW2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.46
NR3C2 P08235 2/20 0.46
DEGS1 O15121 1/20 0.45

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
SCHEMBL4251821 0.95 EPHX2 (0.72) EPHX2PTGS2ALOX5TBXAS1SLC6A3
SCHEMBL4253851 0.89 MAPT (0.61) EPHX2PTGS2ALOX5TBXAS1SLC6A3
SCHEMBL4247404 0.88 PTGS2 (0.58) EPHX2PTGS2ALOX5TBXAS1SLC6A3
SCHEMBL18996598 0.86 EPHX2 (0.59) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4253940 0.83 EPHX2 (0.91) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4253807 0.83 EPHX2 (0.71) EPHX2PTGS2SMN1; SMN2MAPTTP53
SCHEMBL13701842 0.83 PTGS2 (0.52) EPHX2PTGS2CRACR2ATP53NR3C2
SCHEMBL13701938 0.81 PTGS2 (0.50) EPHX2PTGS2ALOX5TBXAS1SLC6A3
SCHEMBL4250793 0.80 EPHX2 (0.71) EPHX2PTGS2CRACR2ASMN1; SMN2MAPT
SCHEMBL4246194 0.80 EPHX2 (0.80) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008395-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. 2022-01-13 US disclosed
US-11129813-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2021-09-28 US disclosed
US-20200397758-A1 Antimitotic Amides for the Treatment of Cancer and Proliferative Disorders FROST BIOLOGIC, INC. 2020-12-24 US disclosed
US-10772872-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2020-09-15 US disclosed
US-10016398-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2018-07-10 US disclosed
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 (7 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-20220008395-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS CCNA1, CCNE1, CCNB1 EPHX2 4179/4885PTGS2 4290/4885ALOX5 3719/4885
US-10016398-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 EPHX2 4179/4885PTGS2 4290/4885ALOX5 3719/4885
US-11129813-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 EPHX2 4179/4885PTGS2 4290/4885ALOX5 3719/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX EPHX2 2/4885PTGS2 158/4885ALOX5 60/4885
US-10772872-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 EPHX2 4179/4885PTGS2 4290/4885ALOX5 3719/4885
US-20200397758-A1 Antimitotic Amides for the Treatment of Cancer and Proliferative Disorders CCNA1, CCNE1, CCNB1 EPHX2 4179/4885PTGS2 4290/4885ALOX5 3719/4885
US-20170172984-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS CCNA1, CCNE1, CCNB1 EPHX2 4179/4885PTGS2 4290/4885ALOX5 3719/4885

“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.