SCHEMBL2431070

SCHEMBL2431070

OCc1cc(-c2ccc(F)cc2)on1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.70
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
DAPK3 O43293 1/20 0.52
JAK2 O60674 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
LCK P06239 1/20 0.52
RET P07949 1/20 0.52
MET P08581 1/20 0.52
PDGFRB P09619 1/20 0.52
PIM1 P11309 1/20 0.52
FGFR1 P11362 1/20 0.52
PDGFRA P16234 1/20 0.52
PRKACA P17612 1/20 0.52
FLT1 P17948 1/20 0.52
LTK P29376 1/20 0.52
GRK5 P34947 1/20 0.52
KDR P35968 1/20 0.52
MAP2K2 P36507 1/20 0.52

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
SCHEMBL5442956 0.82 NOTUM (1.00) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL23863307 0.82 NOTUM (0.70) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL5502 0.82 NOTUM (0.70) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL14069278 0.82 NOTUM (0.70) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL7898072 0.82 PTGS2 (0.48) NOTUMRAB9ANPC1MAPTTP53
SCHEMBL8418866 0.82 MAPT (0.51) NOTUMRAB9ANPC1MAPTTP53
SCHEMBL20536341 0.82 NOTUM (0.47) NOTUMRAB9ANPC1MAPTTP53
SCHEMBL2427499 0.82 NOTUM (0.51) NOTUMRAB9ANPC1MAPTTP53
SCHEMBL1544128 0.81 NOTUM (1.00) NOTUMCHEK1AURKADAPK3JAK2
SCHEMBL2983289 0.81 NOTUM (0.64) NOTUMCHEK1AURKADAPK3JAK2

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US claimed
WO-2025085347-A1 IL4I1 INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-04-24 WO disclosed
CN-117417334-A Azole derivative containing isoxazole structure, and preparation method and application thereof 沈阳药科大学 2024-01-19 CN disclosed
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES WILLIAM MARSH RICE UNIVERSITY (US) 2021-08-05 US disclosed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 US disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20170073339-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-9533981-B2 Pyridine derivatives ASANA BIOSCIENCES, LLC (US) 2017-01-03 US disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20130085148-A1 Pyridine Derivatives ENDO PHARMACEUTICALS INC. (US) 2013-04-04 US disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 US disclosed
US-8026262-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2011-09-27 US disclosed
US-20090264482-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-10-22 US disclosed
US-7572820-B2 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
EP-2079466-A2 SUBSTITUTED INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 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 (8 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-20130085148-A1 Pyridine Derivatives CYP2A7, CYP21A2, CYP3A7 NOTUM 2246/4885CHEK1 1808/4885AURKA 1807/4885
US-20090264482-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA NOTUM 293/4885CHEK1 2922/4885AURKA 1185/4885
US-20170073339-A1 PYRIDINE DERIVATIVES CYP21A2, CYP26A1, CYP11B1 NOTUM 2320/4885CHEK1 2481/4885AURKA 1612/4885
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 NOTUM 4592/4885CHEK1 4272/4885AURKA 4542/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA NOTUM 293/4885CHEK1 2922/4885AURKA 1185/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 NOTUM 4801/4885CHEK1 1932/4885AURKA 3525/4885
US-20210238187-A1 AZIRIDINE CONTAINING EPOTHILONE ANALOGS, METHODS OF SYNTHESIS, METHODS OF TREATMENT, AND DRUG CONJUGATES EPOR, EZR, CD47 NOTUM 2621/4885CHEK1 3867/4885AURKA 3306/4885
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators AR, NR5A1, NR3C2 NOTUM 3291/4885CHEK1 1634/4885AURKA 1124/4885

“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.