SCHEMBL797858

SCHEMBL797858

O=c1[nH]ccc2[nH]c3ccc(F)cc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
JAK2 O60674 4/20 0.46
CHEK1 O14757 3/20 0.46
JAK3 P52333 2/20 0.46
FEN1 P39748 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
IKBKB O14920 1/20 0.43
MAPK13 O15264 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
FYN P06241 1/20 0.43
RET P07949 1/20 0.43
HCK P08631 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
SCHEMBL16009072 0.76 ALDH1A1 (0.59) KDM4EALDH1A1GAAPDGFRBACHE
SCHEMBL16019680 0.76 CHEK1 (0.41) KDM4EALDH1A1CHEK1HPGD
SCHEMBL798414 0.75 ALDH1A1 (0.52) KDM4EALDH1A1GLAGAAHTT
SCHEMBL15379639 0.73 ACHE (0.67) KDM4EALDH1A1GLAGAAHTT
SCHEMBL29387074 0.73 ACHE (0.67) KDM4EALDH1A1GLAGAAHTT
SCHEMBL3508562 0.72 CDK5 (0.43) KDM4EALDH1A1GLAGAAHTT
SCHEMBL13819449 0.72 CDK5 (0.43) KDM4EALDH1A1GLAGAAHTT
SCHEMBL13819201 0.72 CDK5 (0.49) KDM4EALDH1A1GLAGAAHTT
SCHEMBL5879244 0.71 CHEK1 (0.59) KDM4EALDH1A1GLAGAAHTT
SCHEMBL14668858 0.71 KDM4E (0.76) KDM4EALDH1A1GLAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-20100267709-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100267709-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100267709-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
US-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
WO-2009075830-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-06-18 WO disclosed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 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 (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-20100048551-A1 Tricyclic Compounds Useful as Inhibitors of Kinases JAK2, JAK3, JAK1 KDM4E 1421/4885ALDH1A1 4631/4885GLA 4324/4885
US-20100267709-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 KDM4E 653/4885ALDH1A1 3244/4885GLA 4637/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 KDM4E 530/4885ALDH1A1 68/4885GLA 2244/4885

“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.