SCHEMBL7665284

SCHEMBL7665284

COc1ccc(-c2ccnc3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP4 P12644 3/20 0.61
ACVR1 Q04771 4/20 0.60
BMPR1B O00238 2/20 0.60
KDR P35968 2/20 0.60
BMPR1A P36894 2/20 0.60
ACVRL1 P37023 2/20 0.60
ACVR1B P36896 1/20 0.60
TGFBR1 P36897 1/20 0.60
TGFBR2 P37173 1/20 0.60
PRKAB1 Q9Y478 1/20 0.60
ACACA Q13085 1/20 0.59
HTT P42858 2/20 0.56
TLR8 Q9NR97 1/20 0.51
WNT3A P56704 1/20 0.50
KCNH2 Q12809 1/20 0.49
GRM4 Q14833 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 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
SCHEMBL30251801 1.00 BMP4 (0.61) BMP4ACVR1BMPR1BKDRBMPR1A
SCHEMBL8027506 0.89 ACVR1 (0.60) BMP4ACVR1BMPR1BKDRBMPR1A
SCHEMBL18774844 0.88 BMP4 (0.59) BMP4ACVR1BMPR1BKDRBMPR1A
SCHEMBL27290306 0.83 CLK4 (0.53) BMP4ACVR1BMPR1BKDRBMPR1A
SCHEMBL2603403 0.81 KDM4E (0.56) BMP4ACVR1BMPR1BKDRBMPR1A
SCHEMBL29492647 0.81 NPC1 (0.55) ACVR1TGFBR1HTTKCNH2GRM4
SCHEMBL5314423 0.81 NPC1 (0.55) ACVR1TGFBR1HTTKCNH2GRM4
SCHEMBL30440258 0.81 PIK3CA (0.57) ACACATLR8KCNH2GRM4ALDH1A1
SCHEMBL9159084 0.81 GRM4 (0.67) ACACATLR8KCNH2GRM4ALDH1A1
SCHEMBL12074333 0.80 PIK3CA (0.65) BMP4ACVR1KDRTGFBR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118345389-A Green synthesis method of silicon-based substituted quinoline derivative 江苏食品药品职业技术学院 2024-07-16 CN disclosed
CN-115715292-A 1H-pyrazolo [4,3-g ] isoquinoline and 1H-pyrazolo [4,3-g ] quinoline derivatives as alpha-1-antitrypsin modulators for the treatment of alpha-1-antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-02-24 CN disclosed
US-20150376182-A1 Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-31 US disclosed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US disclosed
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 US disclosed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP disclosed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 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 (1 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-20150376182-A1 Substituted Acetylene Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 BMP4 1916/4885ACVR1 2990/4885BMPR1B 3290/4885

“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.