SCHEMBL310054

SCHEMBL310054

CON(C)C(=O)c1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
P4HB P07237 5/20 0.48
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
GRM5 P41594 2/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
CLK1 P49759 1/20 0.42

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
SCHEMBL25720520 0.84 FFAR1 (0.53) SMN1; SMN2
SCHEMBL30784948 0.83 GSK3B (0.56) GSK3BHSD17B10KDM4EHTTSMN1; SMN2
SCHEMBL3813604 0.83 GSK3B (0.56) GSK3BHSD17B10KDM4EHTTSMN1; SMN2
SCHEMBL15281239 0.83 KMT2A (0.50) TSHRCLK1
SCHEMBL27782372 0.81 GSK3B (0.53) GSK3BHSD17B10KDM4EHTTSMN1; SMN2
SCHEMBL286133 0.80 MLYCD (0.51) GSK3BTSHRALDH1A1POLB
SCHEMBL5604959 0.79 SMPD1 (0.63)
SCHEMBL307622 0.79 CES2 (0.62) KDM4ESMN1; SMN2TSHRCLK1
SCHEMBL16214051 0.78 MEN1 (0.46) SMN1; SMN2ALDH1A1CLK1
Hydrochloric Acid SCHEMBL11688435 0.78 GSK3B (0.50) GSK3BHSD17B10KDM4EHTTSMN1; SMN2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002271-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2022-01-06 US disclosed
US-11091466-B2 Heterocyclic inhibitors of PCSK9 Cardio Therapeutics Pty Ltd (AU) 2021-08-17 US disclosed
US-10889576-B2 Phthalazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2021-01-12 US disclosed
US-20200207743-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2020-07-02 US disclosed
US-20190256505-A1 PHTHALAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2019-08-22 US disclosed
US-10370366-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2019-08-06 US disclosed
US-10370366-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2019-08-06 US disclosed
US-10280160-B2 Phthalazinone compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2019-05-07 US disclosed
US-20180093976-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2018-04-05 US disclosed
US-20180093976-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2018-04-05 US disclosed
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20090233938-A1 Thiazole derivatives as a2b antagonists NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 US disclosed
EP-1709036-B1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS NOVARTIS AG (CH) 2008-03-05 EP disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
EP-1709036-A1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS Novartis AG (CH) 2006-10-11 EP disclosed
WO-2005070926-A1 THIAZOLE DERIVATIVES AS A2B ANTAGONISTS NOVARTIS AG (CH) 2005-08-04 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 (12 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-11091466-B2 Heterocyclic inhibitors of PCSK9 PCSK9, PCSK7, PCSK6 GSK3B 173/4885P4HB 2397/4885HSD17B10 306/4885
US-20220002271-A1 HETEROCYCLIC INHIBITORS OF PCSK9 PCSK9, PCSK6, PCSK7 GSK3B 135/4885P4HB 2525/4885HSD17B10 329/4885
US-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 GSK3B 456/4885P4HB 3891/4885HSD17B10 4656/4885
US-10889576-B2 Phthalazinone compounds and methods for the treatment of cystic fibrosis CFTR, SLC26A4, PKD2 GSK3B 2598/4885P4HB 290/4885HSD17B10 264/4885
US-10280160-B2 Phthalazinone compounds and methods for the treatment of cystic fibrosis CFTR, SLC26A4, PKD2 GSK3B 2598/4885P4HB 290/4885HSD17B10 264/4885
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS GSK3B 2789/4885P4HB 1433/4885HSD17B10 409/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 GSK3B 456/4885P4HB 3891/4885HSD17B10 4656/4885
US-20180093976-A1 PYRIDAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, PNPO GSK3B 3098/4885P4HB 363/4885HSD17B10 632/4885
US-10370366-B2 Pyridazinone compounds and methods for the treatment of cystic fibrosis CFTR, SLC26A4, PNPO GSK3B 3098/4885P4HB 363/4885HSD17B10 632/4885
US-20090233938-A1 Thiazole derivatives as a2b antagonists ADORA2B, ADRA2B, AGTR2 GSK3B 4388/4885P4HB 439/4885HSD17B10 1066/4885
US-20200207743-A1 HETEROCYCLIC INHIBITORS OF PCSK9 PCSK9, PCSK7, PCSK6 GSK3B 173/4885P4HB 2397/4885HSD17B10 306/4885
US-20190256505-A1 PHTHALAZINONE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, PKD2 GSK3B 2598/4885P4HB 290/4885HSD17B10 264/4885

“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.