SCHEMBL2877667

SCHEMBL2877667

O=C1NC(=O)/C(=C\c2ccc3ncn(CCc4ccc(O)cc4)c3c2)S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
RAB9A P51151 2/20 0.52
AKR1B1 P15121 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GSK3B P49841 1/20 0.52
CISD1 Q9NZ45 2/20 0.48
PIK3CD O00329 1/20 0.48
NPC1 O15118 1/20 0.48
CSNK2A2 P19784 1/20 0.48
MAOB P27338 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
MTOR P42345 1/20 0.48
PIK3CG P48736 1/20 0.48
CLK1 P49759 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK2 Q92630 1/20 0.48
DYRK1B Q9Y463 1/20 0.48

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
SCHEMBL6422799 1.00 HPGD (0.52) HPGDRAB9AAKR1B1TDP1GSK3B
SCHEMBL2877670 1.00 HPGD (0.52) HPGDRAB9AAKR1B1TDP1GSK3B
SCHEMBL2882174 0.87 PIM1 (0.55) RAB9ACISD1PIK3CDNPC1CSNK2A2
SCHEMBL2882172 0.87 PIM1 (0.55) RAB9ACISD1PIK3CDNPC1CSNK2A2
SCHEMBL2882113 0.86 HPGD (0.56) HPGDRAB9AAKR1B1CISD1PIK3CD
SCHEMBL2882116 0.86 HPGD (0.56) HPGDRAB9AAKR1B1CISD1PIK3CD
SCHEMBL2883618 0.85 PDE4B (0.58) HPGDGSK3BCSNK2A1DYRK1AGAA
SCHEMBL2883617 0.85 PDE4B (0.58) HPGDGSK3BCSNK2A1DYRK1AGAA
SCHEMBL6258475 0.84 HPGD (0.47) HPGDRAB9AAKR1B1TDP1GSK3B
SCHEMBL2877339 0.83 HPGD (0.57) HPGDGAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US claimed
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia MERCK SERONO SA (CH) 2009-02-12 US claimed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US claimed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US claimed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2008-12-11 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX HPGD 2011/4885RAB9A 1515/4885AKR1B1 268/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 HPGD 1757/4885RAB9A 1524/4885AKR1B1 1514/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 HPGD 3176/4885RAB9A 1737/4885AKR1B1 1179/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 HPGD 3709/4885RAB9A 1949/4885AKR1B1 1323/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B HPGD 2135/4885RAB9A 1504/4885AKR1B1 264/4885

“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.