Sugi Predict

Sugi Predict / Compounds / SCHEMBL588382

SCHEMBL588382

SCHEMBL588382

CNc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1-c1ccc2cn[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 1/20 0.49
▸ SYK P43405 2/20 0.44
▸ NEK2 P51955 1/20 0.44
▸ DDR2 Q16832 1/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CCNT1 O60563 2/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ GAK O14976 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ MAP4K1 Q92918 5/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ CLK1 P49759 1/20 0.39

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
SCHEMBL4807969 0.84 PKMYT1 (0.52) PKMYT1SYKNEK2CDK2CCNT1
SCHEMBL588644 0.77 PKMYT1 (0.47) PKMYT1CDK2CCNT1CCNE1CDK9
SCHEMBL589236 0.77 PKMYT1 (0.47) PKMYT1NEK2CDK2CCNT1CCNE1
SCHEMBL10151186 0.74 KDR (0.64) —
SCHEMBL31672542 0.74 KDR (0.64) —
SCHEMBL4818238 0.72 MAP4K1 (0.45) PKMYT1SYKCDK2MAP4K1
SCHEMBL4811690 0.72 PKMYT1 (0.67) PKMYT1SYKNEK2CDK2MKNK2
SCHEMBL1687286 0.71 FGFR1 (0.39) DDR2CDK2MKNK1MKNK2PIK3CD
SCHEMBL4981812 0.70 MAP4K1 (0.46) PKMYT1MAP4K1
SCHEMBL589714 0.69 KDR (0.41) PKMYT1NEK2CDK2CCNT1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 — — EP claimed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 — — US claimed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 — — US claimed
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 — — US claimed
EP-3789027-A1 BOSUTINIB, SUNITINIB, TIVOZANIB, IMATINIB, NILOTINIB, REBASTINIB OR BAFETINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2021-03-10 — — EP disclosed
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2018-01-04 — — US disclosed
EP-3246046-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2017-11-22 — — EP disclosed
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 — — EP disclosed
US-20120277258-A1 Chemical Compounds LEO OSPREY LIMITED (JE) 2012-11-01 — — US disclosed
US-8114885-B2 Pazopanib hydrochloride and synthesis, chemical intermediates, and dosage forms thereof; anticancer; colon cancer, breast cancer GLAXOSMITHKLINE LLC (US) 2012-02-14 — — US disclosed
EP-2311825-A1 Pyrimidineamines as angiogenesis modulators GlaxoSmithKline LLC (US) 2011-04-20 — — EP disclosed
US-7858626-B2 Pyrimidineamines as angiogenesis modulators GLAXOSMITHKLINE LLC (US) 2010-12-28 — — US disclosed
US-20100105712-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-04-29 — — US disclosed
US-20070292513-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-12-20 — — US disclosed
US-20070270427-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-11-22 — — US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 — — US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 — — US disclosed
US-7105530-B2 inhibitors of vascular endothelial growth factor receptor-2 kinase; pazopanib and salts; for proliferative retinopathy; anticancer SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 — — US disclosed
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 — — 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 (7 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-20040242578-A1 Pyrimidineamines as angiogenesis modulators TYMS, TYMP, DPYD PKMYT1 1205/4885SYK 903/4885NEK2 789/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 PKMYT1 1367/4885SYK 463/4885NEK2 585/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 PKMYT1 1367/4885SYK 463/4885NEK2 585/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 PKMYT1 1386/4885SYK 361/4885NEK2 1199/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 PKMYT1 1367/4885SYK 463/4885NEK2 585/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 PKMYT1 1367/4885SYK 463/4885NEK2 585/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 PKMYT1 1367/4885SYK 463/4885NEK2 585/4885

“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.