SCHEMBL1783253

SCHEMBL1783253

O=C(O)c1cnn(-c2nc(-c3ccccc3OCc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cs2)c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
RAB9A P51151 4/20 0.59
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
NPC1 O15118 3/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 4/20 0.54
CRHBP P24387 1/20 0.54
MC4R P32245 1/20 0.54
CRHR2 Q13324 1/20 0.54
HPGD P15428 5/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.52
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ITGB3 P05106 8/20 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
SCHEMBL1197452 0.92 KDM4E (0.61) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL18335008 0.89 KDM4E (0.46) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL1781941 0.87 KEAP1 (0.51) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL3616710 0.84 POLB (0.42) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL1198540 0.83 KDM4E (0.74) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL3995334 0.82 KEAP1 (0.55) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL3622287 0.82 KDM5A (0.44) KDM4ERAB9AMAPTPOLBCYP2C9
SCHEMBL1780967 0.82 KEAP1 (0.49) KDM4ERAB9AALDH1A1MAPTPOLB
SCHEMBL1199230 0.81 KMT2A (0.69) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL1198188 0.81 KDM4E (0.58) KDM4ERAB9AMEN1KMT2ANPC1

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 15 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 claimed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US claimed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US claimed
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-05-01 US disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 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-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
EP-2197551-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2010-06-23 EP disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
WO-2009032249-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK & CO., INC. (US) 2009-03-12 WO disclosed
WO-2009032249-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK & CO., INC. (US) 2009-03-12 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 KDM4E 1970/4885RAB9A 1349/4885MEN1 1567/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 KDM4E 1970/4885RAB9A 1349/4885MEN1 1567/4885
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS SYK, BTK, LYN KDM4E 745/4885RAB9A 4251/4885MEN1 4018/4885

“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.