SCHEMBL1198475

SCHEMBL1198475

CCOC(=O)c1cnn(-c2nc(-c3ccccc3OC)cs2)c1C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.80
HPGD P15428 6/20 0.80
L3MBTL1 Q9Y468 4/20 0.80
POLB P06746 1/20 0.80
KMT2A Q03164 8/20 0.75
MEN1 O00255 7/20 0.75
ALDH1A1 P00352 5/20 0.75
MAPT P10636 3/20 0.75
GAA P10253 2/20 0.75
TDP1 Q9NUW8 1/20 0.75
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
ATM Q13315 1/20 0.54
GUCY1A1 Q02108 1/20 0.51
GUCY1B1 Q02153 1/20 0.51
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48

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
SCHEMBL1198850 0.90 KDM4E (0.84) KDM4EHPGDL3MBTL1POLBKMT2A
SCHEMBL1198540 0.89 KDM4E (0.74) KDM4EHPGDL3MBTL1POLBKMT2A
SCHEMBL12875551 0.88 HPGD (0.61) KDM4EHPGDL3MBTL1POLBKMT2A
SCHEMBL1199230 0.88 KMT2A (0.69) KDM4EHPGDL3MBTL1POLBKMT2A
SCHEMBL1198938 0.87 KDM4E (0.72) KDM4EHPGDL3MBTL1POLBKMT2A
SCHEMBL1198047 0.82 KDM4E (0.82) KDM4EHPGDL3MBTL1POLBKMT2A
SCHEMBL1198087 0.80 KDM4E (0.73) KDM4EHPGDL3MBTL1POLBKMT2A
SCHEMBL1198891 0.80 KDM4E (0.85) KDM4EHPGDL3MBTL1POLBKMT2A
SCHEMBL7346602 0.80 KDM4E (0.85) KDM4EHPGDL3MBTL1POLBKMT2A
SCHEMBL1198615 0.79 KDM4E (0.83) KDM4EHPGDL3MBTL1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 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 (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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A KDM4E 1877/4885HPGD 74/4885L3MBTL1 4726/4885
US-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 KDM4E 1970/4885HPGD 805/4885L3MBTL1 1253/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 KDM4E 1970/4885HPGD 805/4885L3MBTL1 1253/4885

“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.