SCHEMBL4457202

SCHEMBL4457202

Nc1ccccc1-c1cnco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
ALDH1A1 P00352 2/20 0.46
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PDK2 Q15119 2/20 0.44
PTK2 Q05397 1/20 0.44
ADRA1A P35348 2/20 0.43
IDO1 P14902 2/20 0.43
ATR Q13535 1/20 0.43
NOTUM Q6P988 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL30570522 1.00 MAP4K4 (0.49) MAP4K4ALDH1A1IMPDH2IMPDH1L3MBTL1
SCHEMBL3178579 0.79 IMPDH2 (0.46) MAP4K4ALDH1A1IMPDH2IMPDH1CYP11B1
SCHEMBL21376047 0.78 IMPDH2 (0.52) MAP4K4IMPDH2IMPDH1PDK2
SCHEMBL26259975 0.77 CYP11B1 (0.48) MAP4K4IMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL26259988 0.77 MEN1 (0.48) MAP4K4IMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL1903692 0.76 PDK2 (0.48) MAP4K4ALDH1A1IMPDH2IMPDH1CYP11B1
SCHEMBL38656167 0.76 PDK2 (0.48) MAP4K4IMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL1363022 0.76 NOTUM (0.50) IMPDH2IMPDH1CYP11B1CYP11B2PDK2
SCHEMBL9955245 0.76 PDK2 (0.48) MAP4K4IMPDH2IMPDH1CYP11B1CYP11B2
SCHEMBL1328549 0.76 GAA (0.50) MAP4K4ALDH1A1IMPDH2IMPDH1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP claimed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN claimed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP claimed
EP-3339287-B1 NEW TYPE OF ANTIVIRAL COMPOUND INST MED BIOTECHNOLOGY CAMS (CN) 2020-07-01 EP disclosed
US-9718821-B2 Pyridopyrimidinone inhibitors of kinases ABBVIE INC. (US) 2017-08-01 US disclosed
EP-2817308-B1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC (US) 2016-09-07 EP disclosed
EP-2817308-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES AbbVie Inc. (US) 2014-12-31 EP disclosed
WO-2013126656-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 WO disclosed
US-20130225589-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 US disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
US-7560462-B2 Compounds useful for inhibiting CHK1 ICOS CORPORATION (US) 2009-07-14 US disclosed
EP-1768977-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-04-04 EP disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
WO-2006014359-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-09 WO disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
WO-2003040141-A1 OXAZOLYL-PHENYL-2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 WO disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (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-20130225589-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 MAP4K4 45/4885ALDH1A1 1211/4885IMPDH2 1223/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT MAP4K4 4009/4885ALDH1A1 1541/4885IMPDH2 4694/4885

“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.