Sugi Predict

Sugi Predict / Compounds / SCHEMBL588644

SCHEMBL588644

SCHEMBL588644

CNc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1-c1ccc2c(C)n(C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 1/20 0.47
▸ KDR P35968 7/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KIT P10721 5/20 0.41
▸ PDGFRA P16234 5/20 0.41
▸ BTK Q06187 1/20 0.41
▸ CSF1R P07333 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ MAP4K1 Q92918 5/20 0.40
▸ CDK9 P50750 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GAK O14976 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
SCHEMBL589242 0.91 MAP4K1 (0.47) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL589236 0.86 PKMYT1 (0.47) PKMYT1KDRCYP3A4CYP2D6CYP2C9
SCHEMBL6079214 0.86 KDR (0.42) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6079973 0.82 BTK (0.41) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6079730 0.81 BTK (0.42) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6079571 0.81 BTK (0.44) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6079111 0.81 BTK (0.40) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4807969 0.81 PKMYT1 (0.52) PKMYT1KDRCDK9CCNT1CCNE1
SCHEMBL2783461 0.79 KDR (0.43) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL588382 0.77 PKMYT1 (0.49) PKMYT1PDGFRAMAP4K1CDK9CCNT1

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 20 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
EP-2311825-A1 Pyrimidineamines as angiogenesis modulators GlaxoSmithKline LLC (US) 2011-04-20 — — EP claimed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 — — 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
EP-1343782-B1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 — — EP 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 1205/4885KDR 5/4885CYP3A4 3720/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 PKMYT1 1367/4885KDR 1/4885CYP3A4 2882/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 PKMYT1 1367/4885KDR 1/4885CYP3A4 2882/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 PKMYT1 1386/4885KDR 648/4885CYP3A4 1754/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 PKMYT1 1367/4885KDR 1/4885CYP3A4 2882/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 PKMYT1 1367/4885KDR 1/4885CYP3A4 2882/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 PKMYT1 1367/4885KDR 1/4885CYP3A4 2882/4885

“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.