SCHEMBL401474

SCHEMBL401474

Cn1c(Cc2ccc(Cl)cc2Cl)nc2cc(C(=O)O)ccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.46
PDE5A O76074 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.42
NR4A2 P43354 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDE10A Q9Y233 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CDH1 P12830 1/20 0.41
APC P25054 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41

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
SCHEMBL6301370 0.89 NPC1 (0.45) MAPTCYP3A4NPC1RAB9AHDAC6
SCHEMBL404057 0.83 PDE5A (0.61) PDE5AMAPTCYP3A4NR4A2HDAC6
SCHEMBL6299260 0.80 PPARG (0.55) MAPTNPC1RAB9AHDAC6
SCHEMBL6299474 0.74 SMN1; SMN2 (0.53) MBOAT4PDE5ATSHRCYP3A4NR4A2
SCHEMBL8614149 0.74 HDAC6 (0.70) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6922909 0.73 MAPK1 (0.51) MAPTKDM4ETDP1L3MBTL1NPC1
SCHEMBL7507339 0.72 MEN1 (0.56) MAPTTDP1HDAC6MEN1KMT2A
SCHEMBL403865 0.72 ALDH1A1 (0.48) PDE5AMAPTKDM4ETSHRTDP1
SCHEMBL1161394 0.72 CYP3A4 (0.51) KDM4EALOX15TSHRTDP1L3MBTL1
SCHEMBL6298590 0.71 TP53 (0.48) MAPTTSHRTDP1CYP3A4NR4A2

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-2050739-B1 QUINAZOLINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-07-06 EP disclosed
US-8101624-B2 Quinazoline derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-24 US disclosed
US-20090318478-A1 QUINAZOLINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. 2009-12-24 US disclosed
EP-2050739-A1 QUINAZOLINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-04-22 EP disclosed
US-6911469-B2 Sulfonamide compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-28 US disclosed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 MBOAT4 1844/4885PDE5A 10/4885MAPT 4591/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM MBOAT4 1593/4885PDE5A 10/4885MAPT 4725/4885
US-20090318478-A1 QUINAZOLINE DERIVATIVES PDE9A, PDE3A, PDE5A MBOAT4 3852/4885PDE5A 3/4885MAPT 4404/4885

“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.