Sugi Predict

Sugi Predict / Compounds / SCHEMBL2523864

SCHEMBL2523864

SCHEMBL2523864

O=C(OCc1ccccc1)c1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 1/20 0.54
▸ GSK3A P49840 1/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ PTK2 Q05397 11/20 0.51
▸ JAK2 O60674 2/20 0.47
▸ NTRK1 P04629 2/20 0.47
▸ TYK2 P29597 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ PTK2B Q14289 2/20 0.47
▸ NTRK3 Q16288 2/20 0.47
▸ NTRK2 Q16620 2/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL30002940 0.96 GSK3A (0.51) GLO1GSK3AGSK3BPTK2JAK2
SCHEMBL380932 0.83 PTK2 (0.52) PTK2
SCHEMBL29107109 0.83 AURKA (0.47) GSK3AGSK3BPTK2JAK3AURKA
SCHEMBL11987614 0.82 PTK2 (0.54) GSK3AGSK3BPTK2JAK2NTRK1
SCHEMBL10149114 0.82 PTK2 (0.52) GSK3AGSK3BPTK2JAK2NTRK1
SCHEMBL579089 0.81 GSK3B (0.70) GSK3AGSK3BPTK2JAK2JAK3
SCHEMBL1613507 0.81 PTK2 (0.50) PTK2JAK2
SCHEMBL1008313 0.80 PTK2 (0.53) GSK3AGSK3BPTK2JAK2NTRK1
SCHEMBL25281543 0.80 PTK2 (0.46) GSK3AGSK3BPTK2JAK2NTRK1
SCHEMBL24752394 0.79 PTK2 (0.52) GLO1GSK3AGSK3BPTK2JAK2

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
CN-116870016-B Heteroaromatic compound and medical application thereof 希格生科（深圳）有限公司 2024-05-28 — — CN disclosed
CN-117412981-A Phosphine oxide derivative and preparation method and application thereof 希格生科（深圳）有限公司 2024-01-16 — — CN disclosed
CN-116870016-A Heteroaromatic compound and medical application thereof 希格生科（深圳）有限公司 2023-10-13 — — CN disclosed
CN-115785154-A Heteroaromatic ring compounds and medical use thereof 希格生科（深圳）有限公司 2023-03-14 — — CN disclosed
WO-2022253081-A1 PHOSPHINE OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 希格生科（深圳）有限公司 2022-12-08 — — WO disclosed
WO-2022253081-A1 PHOSPHINE OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 希格生科（深圳）有限公司 2022-12-08 — — WO disclosed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 — — US disclosed
US-8623887-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-07 — — US disclosed
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 — — US disclosed
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 — — US disclosed
US-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 — — US disclosed
US-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 — — US disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 — — US disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 — — US disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090163467-A1 New compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
CN-101443325-A 2, 4 -diamino pyrimidines as cell cycle kinase inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-27 — — CN disclosed
CN-101213179-A 2, 4-diamino-pyrimidines as Aurora inhibitors BOEHRINGER INGELHEIM INT (DE) 2008-07-02 — — CN disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 — — US disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 — — US 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 (5 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-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 GLO1 4050/4885GSK3A 1624/4885GSK3B 1395/4885
US-20110251174-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB GLO1 4680/4885GSK3A 346/4885GSK3B 242/4885
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB GLO1 4680/4885GSK3A 346/4885GSK3B 242/4885
US-20130281429-A1 2,4-DIAMINO-PYRIMIDINES AS AURORA INHIBITORS AURKA, AURKC, AURKB GLO1 4680/4885GSK3A 346/4885GSK3B 242/4885
US-20090163467-A1 New compounds CCNA1, MKI67, CCNT1 GLO1 4749/4885GSK3A 1514/4885GSK3B 1179/4885

“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.

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