SCHEMBL3917675

SCHEMBL3917675

CC(=O)n1ncc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.56
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
DAPK3 O43293 1/20 0.52
CSNK1A1 P48729 1/20 0.52
GSK3A P49840 1/20 0.52
LIMK1 P53667 1/20 0.52
IKBKE Q14164 1/20 0.52
MAPK14 Q16539 1/20 0.52
TAOK1 Q7L7X3 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAOB P27338 3/20 0.50
ALOX5 P09917 1/20 0.49
HSP90AA1 P07900 1/20 0.48
KCNH2 Q12809 2/20 0.47

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
SCHEMBL27661398 0.88 SRD5A2 (0.54) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL27661384 0.80 SRD5A2 (0.53) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL16025834 0.80 CHEK1 (0.55) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL11337508 0.78 MAOB (0.50) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL14514301 0.77 CHEK1 (0.61) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL27661387 0.75 NPC1 (0.48) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL27031975 0.75 MAPK1 (0.42) SRD5A2CHEK1AURKADAPK3CSNK1A1
SCHEMBL11519318 0.74 PTPN1 (0.46) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL15770439 0.74 MCHR1 (0.52) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL5990598 0.74 SRD5A2 (0.46) SRD5A2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 EP disclosed
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 EP disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 US disclosed
CN-100369899-C Substituted indazoles with anti-cancer activity AVENTIS PHARMA SA (FR) 2008-02-20 CN disclosed
EP-1732938-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
CN-1642922-A Substituted indazoles with anti-cancer activity AVENTIS PHARMA SA (FR) 2005-07-20 CN disclosed
WO-2005058923-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-06-30 WO disclosed
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2005-06-23 US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 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 (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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 SRD5A2 2898/4885CHEK1 42/4885AURKA 17/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 SRD5A2 2544/4885CHEK1 66/4885AURKA 65/4885
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products PPIP5K2, INPPL1, IP6K3 SRD5A2 2882/4885CHEK1 43/4885AURKA 553/4885

“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.