Sugi Predict

Sugi Predict / Compounds / SCHEMBL566209

SCHEMBL566209

SCHEMBL566209

N#Cc1cc(C#N)c(Cl)nc1Cl

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CHUK O15111 1/20 0.37
▸ PGK1 P00558 1/20 0.37

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
SCHEMBL30232391 0.87 KHK (0.52) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL566195 0.87 KHK (0.52) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL29755422 0.84 KHK (0.69) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL33526375 0.84 NPSR1 (0.59) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL29448447 0.84 KHK (0.69) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL3369289 0.84 KHK (0.69) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL8778840 0.84 KHK (0.48) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL20302559 0.84 ALDH1A1 (0.58) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL165776 0.84 KHK (0.69) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL29448448 0.84 KHK (0.69) KHKSMN1; SMN2ALDH1A1NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978536-A Adsorbent and preparation method and application thereof 东北师范大学 2024-11-19 — — CN claimed
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 — — US disclosed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 — — WO disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 — — WO disclosed
US-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 — — US disclosed
US-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 — — US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 — — US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 — — US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 — — US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 — — US disclosed
EP-2461847-A1 DEVICE AND METHOD FOR ELIMINATING BIOLOGICALLY HARMFUL SUBSTANCES FROM BODILY FLUIDS Hemoteq AG (DE) 2012-06-13 — — EP disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 — — US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 — — US disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 — — WO disclosed
WO-2011094450-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC (US) 2011-08-04 — — WO disclosed
WO-2011015197-A1 DEVICE AND METHOD FOR ELIMINATING BIOLOGICALLY HARMFUL SUBSTANCES FROM BODILY FLUIDS OTTO VEIT (DE) 2011-02-10 — — WO disclosed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 — — WO disclosed
WO-2010052222-A1 (DIHYDRO)NAPHTHYRIDINONE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-05-14 — — WO disclosed
US-5228897-A Herbicides MONSANTO COMPANY (US) 1993-07-20 — — US disclosed
EP-0182769-B1 2,6-SUBSTITUTED PYRIDINE COMPOUNDS Monsanto Company (US) 1990-08-01 — — 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-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 DNMT1, DNMT3A, DNMT3B KHK 1380/4885SMN1; SMN2 805/4885ALDH1A1 496/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 KHK 4877/4885SMN1; SMN2 1603/4885ALDH1A1 3735/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 KHK 4877/4885SMN1; SMN2 1603/4885ALDH1A1 3735/4885

“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.