SCHEMBL4277489

SCHEMBL4277489

CC(C)(C)c1ncc(C(=O)O)c(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36

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
SCHEMBL4415725 0.82 KEAP1 (0.44) KEAP1NFE2L2SMN1; SMN2LMNAKMT2A
SCHEMBL2082290 0.81 ATR (0.42) SMN1; SMN2KDM4EJUNNFKB1NFKB2
SCHEMBL21341341 0.80 HPGD (0.39) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL31750517 0.80 HPGD (0.54) SMN1; SMN2HPGDGABRPGABRDGABRA1
SCHEMBL27750497 0.80 HPGD (0.39) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL573798 0.78 ALDH1A1 (0.54) SMN1; SMN2LMNAHPGDKMT2AKDM4E
SCHEMBL8946526 0.76 KMT2A (0.46) HPGDKMT2AMEN1HAVCR2ALDH1A1
SCHEMBL4274478 0.76 HPGD (0.44) KEAP1NFE2L2SMN1; SMN2LMNAHPGD
SCHEMBL721758 0.75 KEAP1 (0.47) KEAP1NFE2L2SMN1; SMN2LMNAHPGD
SCHEMBL10362528 0.75 KDM4E (0.36) LMNAHPGDKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585628-B Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-03-26 CN disclosed
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-10-06 US disclosed
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP disclosed
CN-114585628-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2022-06-03 CN disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 KEAP1 212/4885NFE2L2 1284/4885SMN1; SMN2 4182/4885
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KEAP1 1337/4885NFE2L2 2087/4885SMN1; SMN2 4797/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 KEAP1 212/4885NFE2L2 1284/4885SMN1; SMN2 4182/4885

“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.