SCHEMBL6300425

SCHEMBL6300425

CC1(C)COC(c2ccc3ncccc3c2)=N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 2/20 0.48
DYRK1A Q13627 1/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HRH3 Q9Y5N1 3/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MCL1 Q07820 1/20 0.40
CYP2D6 P10635 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
SCHEMBL2202393 0.82 KDM4E (0.49) KDM4EMAPTHTTLMNAALDH1A1
SCHEMBL20396205 0.76 KDM4E (0.51) KDM4EMAPTHTTLMNAALDH1A1
SCHEMBL471858 0.75 KDM4E (0.60) KDM4EMAPTHTTLMNAALDH1A1
SCHEMBL29757180 0.73 NPC1 (1.00) RAB9ANPC1POLBKDM4EDYRK1A
SCHEMBL30743 0.73 NPC1 (1.00) RAB9ANPC1POLBKDM4EDYRK1A
SCHEMBL28701747 0.72 KDM4E (0.55) POLBKDM4EMAPTHTTLMNA
SCHEMBL4027768 0.72 LMNA (0.48) KDM4EMAPTHTTLMNAHRH3
SCHEMBL27741210 0.72 NPC1 (0.59) RAB9ANPC1POLBKDM4EDYRK1A
SCHEMBL20410843 0.72 KDM4E (0.59) NPC1KDM4EMAPTHTTLMNA
SCHEMBL28701669 0.72 KDM4E (0.55) KDM4EMAPTHTTLMNAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911469-B2 Sulfonamide compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-28 US disclosed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP 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 (2 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 RAB9A 2759/4885NPC1 4449/4885POLB 2385/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM RAB9A 3000/4885NPC1 4845/4885POLB 1050/4885

“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.