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SCHEMBL588668

SCHEMBL588668

COc1ccc(S(C)(=O)=O)cc1-c1cnc(N)nc1N(C)c1ccc2c(C)n[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32
▸ SGK1 O00141 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ FYN P06241 2/20 0.32
▸ TLR8 Q9NR97 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31

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
SCHEMBL589780 0.92 BRD4 (0.36) TUBB3TP53BRD4
SCHEMBL589152 0.91 TUBB3 (0.32) TUBB3TP53HRH4TLR8DHFR
SCHEMBL589166 0.88 LRRK2 (0.36) LRRK2SGK1BRD4METAP2PTGS1
SCHEMBL588723 0.83 HRH4 (0.37) HRH4BRD4
SCHEMBL589706 0.79 JAK2 (0.43) LRRK2CDK2SGK1KDR
SCHEMBL588725 0.78 DRD2 (0.35) TUBB3BRD4TLR8EGFR
SCHEMBL589299 0.75 RECQL (0.40) BRD4
Hydrochloric Acid SCHEMBL589087 0.75 RECQL (0.40) BRD4
SCHEMBL588945 0.74 MEN1 (0.38) TP53SGK1BRD4KDR
SCHEMBL589060 0.73 SGK1 (0.34) CDK2SGK1KDR

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-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 LRRK2 2996/4885CDK4 93/4885CCNA2 242/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 LRRK2 1736/4885CDK4 24/4885CCNA2 190/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 LRRK2 1736/4885CDK4 24/4885CCNA2 190/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 LRRK2 377/4885CDK4 51/4885CCNA2 867/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 LRRK2 1736/4885CDK4 24/4885CCNA2 190/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 LRRK2 1736/4885CDK4 24/4885CCNA2 190/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 LRRK2 1736/4885CDK4 24/4885CCNA2 190/4885

“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.