SCHEMBL1780944

SCHEMBL1780944

CCOC(=O)c1cnn(-c2ccnc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 2/20 0.54
GUCY1B1 Q02153 2/20 0.54
HPGD P15428 9/20 0.52
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 7/20 0.52
MAPT P10636 5/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
GAA P10253 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TRPC1 P48995 2/20 0.52
TRPC3 Q13507 2/20 0.52
STIM1 Q13586 2/20 0.52
ORAI1 Q96D31 2/20 0.52
STIM2 Q9P246 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
RAB9A P51151 3/20 0.50

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
SCHEMBL7232416 0.85 NPC1 (0.50) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL1782567 0.83 GUCY1A1 (0.62) GUCY1A1GUCY1B1HPGDKDM4EALDH1A1
SCHEMBL31252558 0.82 MAPT (0.54) GUCY1A1GUCY1B1HPGDKDM4EALDH1A1
SCHEMBL26126954 0.82 MAPT (0.54) GUCY1A1GUCY1B1HPGDKDM4EALDH1A1
SCHEMBL30147967 0.81 TRPC1 (0.56) GUCY1A1GUCY1B1HPGDKDM4EALDH1A1
SCHEMBL21605077 0.81 TRPC1 (0.56) GUCY1A1GUCY1B1HPGDKDM4EALDH1A1
SCHEMBL7943253 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1HPGDKDM4EALDH1A1
SCHEMBL20646134 0.81 GUCY1A1 (0.67) GUCY1A1GUCY1B1HPGDKDM4EALDH1A1
SCHEMBL1335150 0.81 HPGD (0.69) GUCY1A1GUCY1B1HPGDKDM4EALDH1A1
SCHEMBL30147756 0.81 HPGD (0.69) GUCY1A1GUCY1B1HPGDKDM4EALDH1A1

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 8 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-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
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
WO-2009068652-A1 2, 6-DISUBSTITUTED PYRIDINES AND 2, 4-DISUBSTITUTED PYRIMIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed
WO-2009068652-A1 2, 6-DISUBSTITUTED PYRIDINES AND 2, 4-DISUBSTITUTED PYRIMIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 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 (2 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 GUCY1A1 3/4885GUCY1B1 1/4885HPGD 805/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 GUCY1A1 3/4885GUCY1B1 1/4885HPGD 805/4885

“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.